[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl] N-(3-azanyl-3-azanylidene-propyl)-N-phenethyl-carbamate

Systemtic Name: [2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl] N-(3-azanyl-3-azanylidene-propyl)-N-phenethyl-carbamate Openeye Name: [2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl] N-(3-amino-3-imino-propyl)-N-phenethyl-carbamate CAS Name: N-(3-amino-3-iminopropyl)-N-phenethylcarbamic acid [2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl] ester IUPAC Name: [2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl] N-(3-amino-3-iminopropyl)-N-phenethylcarbamate Traditional Name: N-(3-amino-3-imino-propyl)-N-phenethyl-carbamic acid [2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl] ester Formula: C29H33N7O2 MolecularWeight: 511.61802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCC3=CC=CC=C3)CCC(=N)N)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCC3=CC=CC=C3)CCC(=N)N)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H33N7O2/c1-35-25-13-12-23(19-24(25)34-27(35)14-9-21-7-10-22(11-8-21)28(32)33)38-29(37)36(18-16-26(30)31)17-15-20-5-3-2-4-6-20/h2-8,10-13,19H,9,14-18H2,1H3,(H3,30,31)(H3,32,33)