S-(furan-2-ylmethyl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride

Systemtic Name: S-(furan-2-ylmethyl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride Openeye Name: S-(2-furylmethyl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioate hydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarbothioic acid S-(2-furanylmethyl) ester hydrochloride IUPAC Name: S-(furan-2-ylmethyl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carbothioate hydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carbothioic acid S-(2-furfuryl) ester hydrochloride Formula: C33H33ClN2O2S MolecularWeight: 557.14532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)SCC3=CC=CO3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)SCC3=CC=CO3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C33H32N2O2S.ClH/c34-26-33(28-13-6-2-7-14-28,29-15-8-3-9-16-29)20-23-35-21-18-32(19-22-35,27-11-4-1-5-12-27)31(36)38-25-30-17-10-24-37-30;/h1-17,24H,18-23,25H2;1H