1-isoquinolin-4-yl-N-methyl-2-oxidanylidene-cyclohexane-1-carbothioamide

Systemtic Name: 1-isoquinolin-4-yl-N-methyl-2-oxidanylidene-cyclohexane-1-carbothioamide Openeye Name: 1-(4-isoquinolyl)-N-methyl-2-oxo-cyclohexanecarbothioamide CAS Name: 1-(4-isoquinolinyl)-N-methyl-2-oxo-1-cyclohexanecarbothioamide IUPAC Name: 1-isoquinolin-4-yl-N-methyl-2-oxocyclohexane-1-carbothioamide Traditional Name: 1-(4-isoquinolyl)-2-keto-N-methyl-cyclohexanecarbothioamide Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=O)C2=CN=CC3=CC=CC=C32

Isomeric SMILES

CNC(=S)C1(CCCCC1=O)C2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C17H18N2OS/c1-18-16(21)17(9-5-4-8-15(17)20)14-11-19-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,21)