methyl 4-[[methyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[methyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-keto-1H-quinolin-4-yl)methyl-methyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O3S/c1-23(12-14-11-18(24)22-17-6-4-3-5-16(14)17)20(27)21-15-9-7-13(8-10-15)19(25)26-2/h3-11H,12H2,1-2H3,(H,21,27)(H,22,24)