3-(4-chlorophenyl)-2-cyano-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanethioamide

Systemtic Name: 3-(4-chlorophenyl)-2-cyano-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanethioamide Openeye Name: 3-(4-chlorophenyl)-2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)propanethioamide CAS Name: 3-(4-chlorophenyl)-2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)propanethioamide IUPAC Name: 3-(4-chlorophenyl)-2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanethioamide Traditional Name: 3-(4-chlorophenyl)-2-cyano-3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thiopropionamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)Cl)C(C#N)C(=S)N)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)Cl)C(C#N)C(=S)N)O)C

InChI

InChI=1S/C18H19ClN2O2S/c1-18(2)7-13(22)16(14(23)8-18)15(12(9-20)17(21)24)10-3-5-11(19)6-4-10/h3-6,12,15,22H,7-8H2,1-2H3,(H2,21,24)