ethyl 2-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methylthio]-1-methyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[[2-[(4-amidinobenzyl)thio]-1-methyl-benzimidazol-5-yl]-benzoyl-amino]acetic acid ethyl ester Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C(=N)N)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C(=N)N)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O3S/c1-3-35-24(33)16-32(26(34)20-7-5-4-6-8-20)21-13-14-23-22(15-21)30-27(31(23)2)36-17-18-9-11-19(12-10-18)25(28)29/h4-15H,3,16-17H2,1-2H3,(H3,28,29)