N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-4-phenylmethoxy-benzenecarbothioamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-4-phenylmethoxy-benzenecarbothioamide Openeye Name: 4-benzyloxy-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-benzenecarbothioamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-4-phenylmethoxybenzenecarbothioamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-4-phenylmethoxybenzenecarbothioamide Traditional Name: 4-benzoxy-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxy-thiobenzamide Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29NO2S/c1-16-8-7-11-20(17(16)2)24-23(27)19-12-13-21(22(14-19)25-3)26-15-18-9-5-4-6-10-18/h4-6,9-10,12-14,16-17,20H,7-8,11,15H2,1-3H3,(H,24,27)/t16-,17+,20+/m0/s1