S-(4-chlorophenyl) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate

Systemtic Name: S-(4-chlorophenyl) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Openeye Name: S-(4-chlorophenyl) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]methyl]-1-piperidinecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Traditional Name: 4-[4-(dimethylaminomethyl)benzyl]piperidine-1-carbothioic acid S-(4-chlorophenyl) ester Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CC2CCN(CC2)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CC2CCN(CC2)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c1-24(2)16-19-5-3-17(4-6-19)15-18-11-13-25(14-12-18)22(26)27-21-9-7-20(23)8-10-21/h3-10,18H,11-16H2,1-2H3