S-[(E,3R)-1-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]hex-1-en-3-yl] N-phenylcarbamothioate

Systemtic Name: S-[(E,3R)-1-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]hex-1-en-3-yl] N-phenylcarbamothioate Openeye Name: S-[(1R)-1-[(E)-2-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]vinyl]butyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[(E,3R)-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-1-en-3-yl] ester IUPAC Name: S-[(E,3R)-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-1-en-3-yl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[(E,1R)-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-1-propyl-allyl] ester Formula: C23H35NOS MolecularWeight: 373.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CC1CC(CCC1C(C)C)C)SC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](/C=C/[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)SC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H35NOS/c1-5-9-21(26-23(25)24-20-10-7-6-8-11-20)14-13-19-16-18(4)12-15-22(19)17(2)3/h6-8,10-11,13-14,17-19,21-22H,5,9,12,15-16H2,1-4H3,(H,24,25)/b14-13+/t18-,19-,21-,22+/m1/s1