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

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(3-ethylphenyl)-1-methyl-benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(3-ethylphenyl)-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(3-ethylphenyl)-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(3-ethylphenyl)-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-N-(3-ethylphenyl)-1-methyl-benzimidazole-5-carboxamide Formula: C29H33N7O MolecularWeight: 495.61862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(CCC(=N)N)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCC1=CC(=CC=C1)N(CCC(=N)N)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H33N7O/c1-3-19-5-4-6-23(17-19)36(16-15-26(30)31)29(37)22-12-13-25-24(18-22)34-27(35(25)2)14-9-20-7-10-21(11-8-20)28(32)33/h4-8,10-13,17-18H,3,9,14-16H2,1-2H3,(H3,30,31)(H3,32,33)