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

Systemtic Name: 6-(tert-butylcarbamoylamino)-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-4-benzimidazolecarboxamide IUPAC Name: 6-(tert-butylcarbamoylamino)-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxamide Formula: C29H41N7O5S MolecularWeight: 599.74474

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H41N7O5S/c1-8-13-35-25-22(26(37)30-12-9-14-34(5)6)16-20(31-27(38)33-29(2,3)4)17-23(25)32-28(35)42-18-19-15-21(36(39)40)10-11-24(19)41-7/h10-11,15-17H,8-9,12-14,18H2,1-7H3,(H,30,37)(H2,31,33,38)