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

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(3-iodanylphenyl)carbamoylamino]piperidin-1-yl]-1-methyl-benzimidazole-5-carboxamide Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(3-iodophenyl)carbamoylamino]-1-piperidyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[[(3-iodoanilino)-oxomethyl]amino]-1-piperidinyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(3-iodophenyl)carbamoylamino]piperidin-1-yl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[4-[(3-iodophenyl)carbamoylamino]piperidino]-1-methyl-benzimidazole-5-carboxamide Formula: C30H33IN8O2 MolecularWeight: 664.53989

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC(=O)NC4=CC(=CC=C4)I)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC(=O)NC4=CC(=CC=C4)I)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H33IN8O2/c1-38-26-11-10-21(17-25(26)36-27(38)12-7-19-5-8-20(9-6-19)28(32)33)29(40)37-39-15-13-23(14-16-39)34-30(41)35-24-4-2-3-22(31)18-24/h2-6,8-11,17-18,23H,7,12-16H2,1H3,(H3,32,33)(H,37,40)(H2,34,35,41)