RZC

2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

Created:	2022-12-09
Last modified:	2023-08-02

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1 entries where RZC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of RZC

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Chemical Component Summary
Name	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula	C₂₁ H₁₉ Cl₂ N₃ O₂ S
Molecular Weight	448.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(c(c3)Cl)Cl
Canonical SMILES	CACTVS	3.385	CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	[H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3ccc(c(c3)Cl)Cl)\N
InChI	InChI	1.06	InChI=1S/C21H19Cl2N3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
InChIKey	InChI	1.06	ZMABEZJRHJFFQS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168433015

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