N-[(R)-[(1S,2R)-2-methyl-2-oxidanyl-cyclohexyl]-phenyl-methyl]benzenecarbothioamide

Systemtic Name: N-[(R)-[(1S,2R)-2-methyl-2-oxidanyl-cyclohexyl]-phenyl-methyl]benzenecarbothioamide Openeye Name: N-[(R)-[(1S,2R)-2-hydroxy-2-methyl-cyclohexyl]-phenyl-methyl]benzenecarbothioamide CAS Name: N-[(R)-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]-phenylmethyl]benzenecarbothioamide IUPAC Name: N-[(R)-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]-phenylmethyl]benzenecarbothioamide Traditional Name: N-[(R)-[(1S,2R)-2-hydroxy-2-methyl-cyclohexyl]-phenyl-methyl]thiobenzamide Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C(C2=CC=CC=C2)NC(=S)C3=CC=CC=C3)O

Isomeric SMILES

C[C@]1(CCCC[C@H]1[C@H](C2=CC=CC=C2)NC(=S)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NOS/c1-21(23)15-9-8-14-18(21)19(16-10-4-2-5-11-16)22-20(24)17-12-6-3-7-13-17/h2-7,10-13,18-19,23H,8-9,14-15H2,1H3,(H,22,24)/t18-,19-,21+/m0/s1