2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(3-ethanoylphenyl)carbamoylamino]piperidin-1-yl]-1-methyl-benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(3-ethanoylphenyl)carbamoylamino]piperidin-1-yl]-1-methyl-benzimidazole-5-carboxamide Openeye Name: N-[4-[(3-acetylphenyl)carbamoylamino]-1-piperidyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-[4-[[(3-acetylanilino)-oxomethyl]amino]-1-piperidinyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-[4-[(3-acetylphenyl)carbamoylamino]piperidin-1-yl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: N-[4-[(3-acetylphenyl)carbamoylamino]piperidino]-2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide Formula: C32H36N8O3 MolecularWeight: 580.68004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NC2CCN(CC2)NC(=O)C3=CC4=C(C=C3)N(C(=N4)CCC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NC2CCN(CC2)NC(=O)C3=CC4=C(C=C3)N(C(=N4)CCC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C32H36N8O3/c1-20(41)23-4-3-5-26(18-23)36-32(43)35-25-14-16-40(17-15-25)38-31(42)24-11-12-28-27(19-24)37-29(39(28)2)13-8-21-6-9-22(10-7-21)30(33)34/h3-7,9-12,18-19,25H,8,13-17H2,1-2H3,(H3,33,34)(H,38,42)(H2,35,36,43)