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

Systemtic Name: methyl 4-methylsulfanyl-2-[[(2-oxidanylidene-1H-quinolin-4-yl)methyl-propan-2-yl-carbamothioyl]amino]butanoate Openeye Name: methyl 2-[[isopropyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[[(2-oxo-1H-quinolin-4-yl)methyl-propan-2-ylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(2-oxo-1H-quinolin-4-yl)methyl-propan-2-ylcarbamothioyl]amino]butanoate Traditional Name: 2-[[isopropyl-[(2-keto-1H-quinolin-4-yl)methyl]thiocarbamoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-13(2)23(20(27)22-17(9-10-28-4)19(25)26-3)12-14-11-18(24)21-16-8-6-5-7-15(14)16/h5-8,11,13,17H,9-10,12H2,1-4H3,(H,21,24)(H,22,27)