methyl 4-[[methyl-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[methyl-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[methyl-[(1-methyl-2-oxo-3-quinolyl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[methyl-[(1-methyl-2-oxo-3-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(1-methyl-2-oxoquinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-keto-1-methyl-3-quinolyl)methyl-methyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3S/c1-23(21(28)22-17-10-8-14(9-11-17)20(26)27-3)13-16-12-15-6-4-5-7-18(15)24(2)19(16)25/h4-12H,13H2,1-3H3,(H,22,28)