S-(3-phenylpropyl) 4-[[4-(phenylmethyl)piperidin-1-yl]methyl]benzenecarbothioate

Systemtic Name: S-(3-phenylpropyl) 4-[[4-(phenylmethyl)piperidin-1-yl]methyl]benzenecarbothioate Openeye Name: S-(3-phenylpropyl) 4-[(4-benzyl-1-piperidyl)methyl]benzenecarbothioate CAS Name: 4-[[4-(phenylmethyl)-1-piperidinyl]methyl]benzenecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 4-[(4-benzylpiperidin-1-yl)methyl]benzenecarbothioate Traditional Name: 4-[(4-benzylpiperidino)methyl]thiobenzoic acid S-(3-phenylpropyl) ester Formula: C29H33NOS MolecularWeight: 443.64342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)SCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)SCCCC4=CC=CC=C4

InChI

InChI=1S/C29H33NOS/c31-29(32-21-7-12-24-8-3-1-4-9-24)28-15-13-27(14-16-28)23-30-19-17-26(18-20-30)22-25-10-5-2-6-11-25/h1-6,8-11,13-16,26H,7,12,17-23H2