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

Systemtic Name: 3-nitro-N-[[(1R,5R)-1,3,3-trimethyl-5-oxidanyl-cyclohexyl]methyl]benzenecarbothioamide Openeye Name: N-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methyl]-3-nitro-benzenecarbothioamide CAS Name: N-[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]-3-nitrobenzenecarbothioamide IUPAC Name: N-[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]-3-nitrobenzenecarbothioamide Traditional Name: N-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methyl]-3-nitro-thiobenzamide Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CNC(=S)C2=CC(=CC=C2)[N+](=O)[O-])O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-16(2)8-14(20)9-17(3,10-16)11-18-15(23)12-5-4-6-13(7-12)19(21)22/h4-7,14,20H,8-11H2,1-3H3,(H,18,23)/t14-,17+/m1/s1