(1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[3-(4-carbamimidoylphenyl)propyl]carbamate

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[3-(4-carbamimidoylphenyl)propyl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-imino-propyl)-N-[3-(4-carbamimidoylphenyl)propyl]carbamate CAS Name: N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)propyl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)propyl]carbamate Traditional Name: N-[3-(4-amidinophenyl)propyl]-N-(3-amino-3-imino-propyl)carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCCC3=CC=C(C=C3)C(=N)N)CCC(=N)N

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCCC3=CC=C(C=C3)C(=N)N)CCC(=N)N

InChI

InChI=1S/C22H27N7O2/c1-28-14-27-18-13-17(8-9-19(18)28)31-22(30)29(12-10-20(23)24)11-2-3-15-4-6-16(7-5-15)21(25)26/h4-9,13-14H,2-3,10-12H2,1H3,(H3,23,24)(H3,25,26)