S-(4-methylphenoxy) 2-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate

Systemtic Name: S-(4-methylphenoxy) 2-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Openeye Name: S-(4-methylphenoxy) 2-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate CAS Name: 2-[[4-(dimethylaminomethyl)phenyl]methyl]-1-piperidinecarbothioic acid S-(4-methylphenoxy) ester IUPAC Name: S-(4-methylphenoxy) 2-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-1-carbothioate Traditional Name: 2-[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)N2CCCCC2CC3=CC=C(C=C3)CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OSC(=O)N2CCCCC2CC3=CC=C(C=C3)CN(C)C

InChI

InChI=1S/C23H30N2O2S/c1-18-7-13-22(14-8-18)27-28-23(26)25-15-5-4-6-21(25)16-19-9-11-20(12-10-19)17-24(2)3/h7-14,21H,4-6,15-17H2,1-3H3