S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO2S/c1-12-7-6-10-15(13(12)2)18-16(19)11-21-17(20)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,18,19)/t12-,13-,15-/m1/s1