S-[(1S,2R)-1-phenyl-2-piperidin-1-yl-propyl] benzenecarbothioate

Systemtic Name: S-[(1S,2R)-1-phenyl-2-piperidin-1-yl-propyl] benzenecarbothioate Openeye Name: S-[(1S,2R)-1-phenyl-2-(1-piperidyl)propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1S,2R)-1-phenyl-2-(1-piperidinyl)propyl] ester IUPAC Name: S-[(1S,2R)-1-phenyl-2-piperidin-1-ylpropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1S,2R)-1-phenyl-2-piperidino-propyl] ester Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)SC(=O)C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)SC(=O)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H25NOS/c1-17(22-15-9-4-10-16-22)20(18-11-5-2-6-12-18)24-21(23)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3/t17-,20-/m1/s1