methyl 2-[2-[methyl-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H22N4O4S/c1-25(14-19(27)24-17-12-8-7-11-16(17)21(29)30-2)20(28)18-13-23-22(31-3)26(18)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,27)