N-[(1R,2R)-3-oxidanyl-1,2-diphenyl-propyl]benzenecarbothioamide

Systemtic Name: N-[(1R,2R)-3-oxidanyl-1,2-diphenyl-propyl]benzenecarbothioamide Openeye Name: N-[(1R,2R)-3-hydroxy-1,2-diphenyl-propyl]benzenecarbothioamide CAS Name: N-[(1R,2R)-3-hydroxy-1,2-diphenylpropyl]benzenecarbothioamide IUPAC Name: N-[(1R,2R)-3-hydroxy-1,2-diphenylpropyl]benzenecarbothioamide Traditional Name: N-[(1R,2R)-3-hydroxy-1,2-diphenyl-propyl]thiobenzamide Formula: C22H21NOS MolecularWeight: 347.47324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NOS/c24-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23-22(25)19-14-8-3-9-15-19/h1-15,20-21,24H,16H2,(H,23,25)/t20-,21+/m1/s1