methyl 2-[[methyl-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[methyl-[(1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[methyl-[(1-methyl-2-oxo-3-quinolyl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[methyl-[(1-methyl-2-oxo-3-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(1-methyl-2-oxoquinolin-3-yl)methyl]carbamothioyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(2-keto-1-methyl-3-quinolyl)methyl-methyl-thiocarbamoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C(C1=O)CN(C)C(=S)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H25N3O3S2/c1-21(19(26)20-15(9-10-27-4)18(24)25-3)12-14-11-13-7-5-6-8-16(13)22(2)17(14)23/h5-8,11,15H,9-10,12H2,1-4H3,(H,20,26)