N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-methylpropyl)benzimidazole-5-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-methylpropyl)benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-isobutyl-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-methylpropyl)-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-methylpropyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-N-isobutyl-1-methyl-benzimidazole-5-carboxamide Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=N)N)C(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(C)CN(CCC(=N)N)C(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C25H33N7O/c1-16(2)15-32(13-12-22(26)27)25(33)19-9-10-21-20(14-19)30-23(31(21)3)11-6-17-4-7-18(8-5-17)24(28)29/h4-5,7-10,14,16H,6,11-13,15H2,1-3H3,(H3,26,27)(H3,28,29)