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

Systemtic Name: S-(4-methylphenoxy) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Openeye Name: S-(4-methylphenoxy) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]methyl]-1-piperidinecarbothioic acid S-(4-methylphenoxy) ester IUPAC Name: S-(4-methylphenoxy) 4-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Traditional Name: 4-[4-(dimethylaminomethyl)benzyl]piperidine-1-carbothioic acid S-(4-methylphenoxy) ester Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OSC(=O)N2CCC(CC2)CC3=CC=C(C=C3)CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OSC(=O)N2CCC(CC2)CC3=CC=C(C=C3)CN(C)C

InChI

InChI=1S/C23H30N2O2S/c1-18-4-10-22(11-5-18)27-28-23(26)25-14-12-20(13-15-25)16-19-6-8-21(9-7-19)17-24(2)3/h4-11,20H,12-17H2,1-3H3