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

Systemtic Name: ethyl 4-[2-(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-keto-7-methyl-1H-quinolin-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C(C=C3)C)NC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C(C=C3)C)NC2=O

InChI

InChI=1S/C22H23N3O3S/c1-3-28-21(27)15-6-8-18(9-7-15)24-22(29)23-11-10-17-13-16-5-4-14(2)12-19(16)25-20(17)26/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,26)(H2,23,24,29)