2-methyl-4-(4-methylsulfanylphenyl)-3-piperidin-1-ylcarbonyl-4,4a,6,7-tetrahydro-1H-quinolin-5-one

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-piperidin-1-ylcarbonyl-4,4a,6,7-tetrahydro-1H-quinolin-5-one Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-3-[oxo(1-piperidinyl)methyl]-4,4a,6,7-tetrahydro-1H-quinolin-5-one IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)SC)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)SC)C(=O)N4CCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-15-20(23(27)25-13-4-3-5-14-25)21(16-9-11-17(28-2)12-10-16)22-18(24-15)7-6-8-19(22)26/h7,9-12,21-22,24H,3-6,8,13-14H2,1-2H3