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

Systemtic Name: N-(2-azanylethyl)-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide Openeye Name: N-(2-aminoethyl)-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxamide CAS Name: N-(2-aminoethyl)-6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-4-benzimidazolecarboxamide IUPAC Name: N-(2-aminoethyl)-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxamide Traditional Name: N-(2-aminoethyl)-6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxamide Formula: C26H35N7O5S MolecularWeight: 557.665

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H35N7O5S/c1-6-11-32-22-19(23(34)28-10-9-27)13-17(29-24(35)31-26(2,3)4)14-20(22)30-25(32)39-15-16-12-18(33(36)37)7-8-21(16)38-5/h7-8,12-14H,6,9-11,15,27H2,1-5H3,(H,28,34)(H2,29,31,35)