(1S,2R)-N-methyl-2-oxidanyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (1S,2R)-N-methyl-2-oxidanyl-1-quinolin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-2-hydroxy-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-2-hydroxy-N-methyl-1-(3-quinolinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-2-hydroxy-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-hydroxy-N-methyl-1-(3-quinolyl)cyclohexanecarbothioamide Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C17H20N2OS/c1-18-16(21)17(9-5-4-8-15(17)20)13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10-11,15,20H,4-5,8-9H2,1H3,(H,18,21)/t15-,17+/m1/s1