3-cyano-N-[[(1R,5R)-1,3,3-trimethyl-5-oxidanyl-cyclohexyl]methyl]benzenecarbothioamide

Systemtic Name: 3-cyano-N-[[(1R,5R)-1,3,3-trimethyl-5-oxidanyl-cyclohexyl]methyl]benzenecarbothioamide Openeye Name: 3-cyano-N-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methyl]benzenecarbothioamide CAS Name: 3-cyano-N-[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]benzenecarbothioamide IUPAC Name: 3-cyano-N-[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]benzenecarbothioamide Traditional Name: 3-cyano-N-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methyl]thiobenzamide Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]1(C[C@@H](CC(C1)(C)C)O)CNC(=S)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H24N2OS/c1-17(2)8-15(21)9-18(3,11-17)12-20-16(22)14-6-4-5-13(7-14)10-19/h4-7,15,21H,8-9,11-12H2,1-3H3,(H,20,22)/t15-,18+/m1/s1