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

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N-(phenylmethyl)-3-propyl-benzimidazole-4-carboxamide Openeye Name: N-benzyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-N-(phenylmethyl)-3-propyl-4-benzimidazolecarboxamide IUPAC Name: N-benzyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxamide Traditional Name: N-benzyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxamide Formula: C31H36N6O5S MolecularWeight: 604.71974

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H36N6O5S/c1-6-14-36-27-24(28(38)32-18-20-10-8-7-9-11-20)16-22(33-29(39)35-31(2,3)4)17-25(27)34-30(36)43-19-21-15-23(37(40)41)12-13-26(21)42-5/h7-13,15-17H,6,14,18-19H2,1-5H3,(H,32,38)(H2,33,35,39)