6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-N-(3-pyridylmethyl)benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-N-(3-pyridinylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propyl-N-(pyridin-3-ylmethyl)benzimidazole-4-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-N-(3-pyridylmethyl)benzimidazole-4-carboxamide Formula: C30H35N7O5S MolecularWeight: 605.7078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2C(=O)NCC3=CN=CC=C3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2C(=O)NCC3=CN=CC=C3)NC(=O)NC(C)(C)C)N=C1SCC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C30H35N7O5S/c1-6-12-36-26-23(27(38)32-17-19-8-7-11-31-16-19)14-21(33-28(39)35-30(2,3)4)15-24(26)34-29(36)43-18-20-13-22(37(40)41)9-10-25(20)42-5/h7-11,13-16H,6,12,17-18H2,1-5H3,(H,32,38)(H2,33,35,39)