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

Systemtic Name: methyl 4-[[2-methoxyethyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-keto-1H-quinolin-4-yl)methyl-(2-methoxyethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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