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

Systemtic Name: methyl 2-[[2-hydroxyethyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-hydroxyethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-hydroxyethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxyethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-hydroxyethyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-14-7-8-15-12-16(20(27)23-19(15)11-14)13-25(9-10-26)22(30)24-18-6-4-3-5-17(18)21(28)29-2/h3-8,11-12,26H,9-10,13H2,1-2H3,(H,23,27)(H,24,30)