ethyl 4-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-keto-6,7-dimethyl-1H-quinolin-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C23H25N3O3S/c1-4-29-22(28)16-5-7-19(8-6-16)25-23(30)24-10-9-17-13-18-11-14(2)15(3)12-20(18)26-21(17)27/h5-8,11-13H,4,9-10H2,1-3H3,(H,26,27)(H2,24,25,30)