2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide

Systemtic Name: 2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide Openeye Name: 2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide CAS Name: 2-[(1-methyl-2-oxo-4-quinolinyl)thio]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide IUPAC Name: 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide Traditional Name: 2-[(2-keto-1-methyl-4-quinolyl)thio]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O2S2/c1-23-18-6-4-3-5-17(18)19(13-21(23)25)27-14-20(24)22-12-11-15-7-9-16(26-2)10-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)