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

Systemtic Name: N-tert-butyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide Openeye Name: N-tert-butyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide CAS Name: N-tert-butyl-6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-4-benzimidazolecarboxamide IUPAC Name: N-tert-butyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxamide Traditional Name: N-tert-butyl-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxamide Formula: C28H38N6O5S MolecularWeight: 570.70352

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2C(=O)NC(C)(C)C)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2C(=O)NC(C)(C)C)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C28H38N6O5S/c1-9-12-33-23-20(24(35)31-27(2,3)4)14-18(29-25(36)32-28(5,6)7)15-21(23)30-26(33)40-16-17-13-19(34(37)38)10-11-22(17)39-8/h10-11,13-15H,9,12,16H2,1-8H3,(H,31,35)(H2,29,32,36)