(phenylmethyl) 4-[4-(dimethylaminomethyl)phenyl]carbonylpiperidine-1-carbodithioate hydrochloride

Systemtic Name: (phenylmethyl) 4-[4-(dimethylaminomethyl)phenyl]carbonylpiperidine-1-carbodithioate hydrochloride Openeye Name: benzyl 4-[4-(dimethylaminomethyl)benzoyl]piperidine-1-carbodithioate hydrochloride CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]-1-piperidinecarbodithioic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-[4-(dimethylaminomethyl)benzoyl]piperidine-1-carbodithioate hydrochloride Traditional Name: 4-[4-(dimethylaminomethyl)benzoyl]piperidine-1-carbodithioic acid benzyl ester hydrochloride Formula: C23H29ClN2OS2 MolecularWeight: 449.07216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)SCC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)SCC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H28N2OS2.ClH/c1-24(2)16-18-8-10-20(11-9-18)22(26)21-12-14-25(15-13-21)23(27)28-17-19-6-4-3-5-7-19;/h3-11,21H,12-17H2,1-2H3;1H