methyl 2-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-hydroxyethyl-[(2-keto-5,8-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=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

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

InChI

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