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

Systemtic Name: methyl 2-[[methyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(2-keto-1H-quinolin-4-yl)methyl-methyl-thiocarbamoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-21(18(25)20-15(8-9-26-3)17(23)24-2)11-12-10-16(22)19-14-7-5-4-6-13(12)14/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,22)(H,20,25)