methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-hydroxyethyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C23H25N3O4S/c1-14-10-15(2)18-12-16(21(28)24-20(18)11-14)13-26(8-9-27)23(31)25-19-7-5-4-6-17(19)22(29)30-3/h4-7,10-12,27H,8-9,13H2,1-3H3,(H,24,28)(H,25,31)