6-(2-methoxyethanoylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenethyl-benzimidazole-4-carboxamide

Systemtic Name: 6-(2-methoxyethanoylamino)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenethyl-benzimidazole-4-carboxamide Openeye Name: 6-[(2-methoxyacetyl)amino]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenethyl-benzimidazole-4-carboxamide CAS Name: 6-[(2-methoxy-1-oxoethyl)amino]-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-3-phenethyl-4-benzimidazolecarboxamide IUPAC Name: 6-[(2-methoxyacetyl)amino]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-phenethylbenzimidazole-4-carboxamide Traditional Name: 6-[(2-methoxyacetyl)amino]-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-3-phenethyl-benzimidazole-4-carboxamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NC(=O)COC

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC(=CC3=C2N(C=N3)CCC4=CC=CC=C4)NC(=O)COC

InChI

InChI=1S/C25H28N6O3S/c1-30-12-9-27-25(30)35-13-10-26-24(33)20-14-19(29-22(32)16-34-2)15-21-23(20)31(17-28-21)11-8-18-6-4-3-5-7-18/h3-7,9,12,14-15,17H,8,10-11,13,16H2,1-2H3,(H,26,33)(H,29,32)