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

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[3-(4-carbamimidoylphenyl)-1-pyridin-3-yl-propyl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-imino-propyl)-N-[3-(4-carbamimidoylphenyl)-1-(3-pyridyl)propyl]carbamate CAS Name: N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)-1-(3-pyridinyl)propyl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-iminopropyl)-N-[3-(4-carbamimidoylphenyl)-1-pyridin-3-ylpropyl]carbamate Traditional Name: N-[3-(4-amidinophenyl)-1-(3-pyridyl)propyl]-N-(3-amino-3-imino-propyl)carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C27H30N8O2 MolecularWeight: 498.5795

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

InChI

InChI=1S/C27H30N8O2/c1-34-17-33-22-15-21(9-11-24(22)34)37-27(36)35(14-12-25(28)29)23(20-3-2-13-32-16-20)10-6-18-4-7-19(8-5-18)26(30)31/h2-5,7-9,11,13,15-17,23H,6,10,12,14H2,1H3,(H3,28,29)(H3,30,31)