N-[(3S)-5-methyl-1-oxidanyl-1-phenyl-2-(phenylcarbonyl)hex-1-en-3-yl]benzenecarbothioamide

Systemtic Name: N-[(3S)-5-methyl-1-oxidanyl-1-phenyl-2-(phenylcarbonyl)hex-1-en-3-yl]benzenecarbothioamide Openeye Name: N-[(1S)-1-(1-benzoyl-2-hydroxy-2-phenyl-vinyl)-3-methyl-butyl]benzenecarbothioamide CAS Name: N-[(3S)-2-benzoyl-1-hydroxy-5-methyl-1-phenylhex-1-en-3-yl]benzenecarbothioamide IUPAC Name: N-[(3S)-2-benzoyl-1-hydroxy-5-methyl-1-phenylhex-1-en-3-yl]benzenecarbothioamide Traditional Name: N-[(1S)-2-benzoyl-3-hydroxy-1-isobutyl-3-phenyl-allyl]thiobenzamide Formula: C27H27NO2S MolecularWeight: 429.57378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C(C1=CC=CC=C1)O)C(=O)C2=CC=CC=C2)NC(=S)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=C(C1=CC=CC=C1)O)C(=O)C2=CC=CC=C2)NC(=S)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO2S/c1-19(2)18-23(28-27(31)22-16-10-5-11-17-22)24(25(29)20-12-6-3-7-13-20)26(30)21-14-8-4-9-15-21/h3-17,19,23,29H,18H2,1-2H3,(H,28,31)/t23-/m0/s1