4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenecarbothioamide

Systemtic Name: 4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenecarbothioamide Openeye Name: 4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenecarbothioamide CAS Name: 4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenecarbothioamide IUPAC Name: 4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenecarbothioamide Traditional Name: 4-tert-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiobenzamide Formula: C19H29NS MolecularWeight: 303.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29NS/c1-13-7-6-8-17(14(13)2)20-18(21)15-9-11-16(12-10-15)19(3,4)5/h9-14,17H,6-8H2,1-5H3,(H,20,21)/t13-,14-,17-/m1/s1