1-butyl-N-[(2,3-dimethoxyphenyl)methyl]-2-(5-nitrothiophen-2-yl)benzimidazole-5-carboxamide

Systemtic Name: 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]-2-(5-nitrothiophen-2-yl)benzimidazole-5-carboxamide Openeye Name: 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]-2-(5-nitro-2-thienyl)benzimidazole-5-carboxamide CAS Name: 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]-2-(5-nitro-2-thiophenyl)-5-benzimidazolecarboxamide IUPAC Name: 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]-2-(5-nitrothiophen-2-yl)benzimidazole-5-carboxamide Traditional Name: 1-butyl-2-(5-nitro-2-thienyl)-N-o-veratryl-benzimidazole-5-carboxamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)NCC3=C(C(=CC=C3)OC)OC)N=C1C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)NCC3=C(C(=CC=C3)OC)OC)N=C1C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-4-5-13-28-19-10-9-16(14-18(19)27-24(28)21-11-12-22(35-21)29(31)32)25(30)26-15-17-7-6-8-20(33-2)23(17)34-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,26,30)