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

Systemtic Name: methyl 2-[[2-methoxyethyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-methoxyethyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(2-keto-1H-quinolin-4-yl)methyl-(2-methoxyethyl)thiocarbamoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC(CCSC)C(=O)OC

Isomeric SMILES

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H27N3O4S2/c1-26-10-9-23(20(28)22-17(8-11-29-3)19(25)27-2)13-14-12-18(24)21-16-7-5-4-6-15(14)16/h4-7,12,17H,8-11,13H2,1-3H3,(H,21,24)(H,22,28)