methyl 3-[[(1R,5R)-1,3,3-trimethyl-5-oxidanyl-cyclohexyl]methylcarbamothioyl]benzoate

Systemtic Name: methyl 3-[[(1R,5R)-1,3,3-trimethyl-5-oxidanyl-cyclohexyl]methylcarbamothioyl]benzoate Openeye Name: methyl 3-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methylcarbamothioyl]benzoate CAS Name: 3-[[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]-sulfanylidenemethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(1R,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylcarbamothioyl]benzoate Traditional Name: 3-[[(1R,5R)-5-hydroxy-1,3,3-trimethyl-cyclohexyl]methylthiocarbamoyl]benzoic acid methyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CNC(=S)C2=CC(=CC=C2)C(=O)OC)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3S/c1-18(2)9-15(21)10-19(3,11-18)12-20-16(24)13-6-5-7-14(8-13)17(22)23-4/h5-8,15,21H,9-12H2,1-4H3,(H,20,24)/t15-,19+/m1/s1