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

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenoxyphenyl)benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenoxyphenyl)benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenoxyphenyl)-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenoxyphenyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-1-methyl-N-(3-phenoxyphenyl)benzimidazole-5-carboxamide Formula: C33H33N7O2 MolecularWeight: 559.66082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)C3=CC(=CC=C3)OC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)C3=CC(=CC=C3)OC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H33N7O2/c1-39-29-16-15-24(20-28(29)38-31(39)17-12-22-10-13-23(14-11-22)32(36)37)33(41)40(19-18-30(34)35)25-6-5-9-27(21-25)42-26-7-3-2-4-8-26/h2-11,13-16,20-21H,12,17-19H2,1H3,(H3,34,35)(H3,36,37)