phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carbodithioate hydrochloride

Systemtic Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carbodithioate hydrochloride Openeye Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carbodithioate hydrochloride CAS Name: 2-[[4-(dimethylaminomethyl)phenyl]thio]-1-piperidinecarbodithioic acid phenyl ester hydrochloride IUPAC Name: phenyl 2-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carbodithioate hydrochloride Traditional Name: 2-[[4-(dimethylaminomethyl)phenyl]thio]piperidine-1-carbodithioic acid phenyl ester hydrochloride Formula: C21H27ClN2S3 MolecularWeight: 439.10048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)SC2CCCCN2C(=S)SC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)SC2CCCCN2C(=S)SC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2S3.ClH/c1-22(2)16-17-11-13-19(14-12-17)25-20-10-6-7-15-23(20)21(24)26-18-8-4-3-5-9-18;/h3-5,8-9,11-14,20H,6-7,10,15-16H2,1-2H3;1H