4-methyl-2-(3-oxidanylidene-4-phenyl-butan-2-yl)piperazine-1-carbodithioate hydrochloride

Systemtic Name: 4-methyl-2-(3-oxidanylidene-4-phenyl-butan-2-yl)piperazine-1-carbodithioate hydrochloride Openeye Name: 4-methyl-2-(1-methyl-2-oxo-3-phenyl-propyl)piperazine-1-carbodithioate hydrochloride CAS Name: 4-methyl-2-(3-oxo-4-phenylbutan-2-yl)-1-piperazinecarbodithioate hydrochloride IUPAC Name: 4-methyl-2-(3-oxo-4-phenylbutan-2-yl)piperazine-1-carbodithioate hydrochloride Traditional Name: 2-(2-keto-1-methyl-3-phenyl-propyl)-4-methyl-piperazine-1-carbodithioate hydrochloride Formula: C16H22ClN2OS2- MolecularWeight: 357.94168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1C(=S)[S-])C)C(=O)CC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C1CN(CCN1C(=S)[S-])C)C(=O)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H22N2OS2.ClH/c1-12(15(19)10-13-6-4-3-5-7-13)14-11-17(2)8-9-18(14)16(20)21;/h3-7,12,14H,8-11H2,1-2H3,(H,20,21);1H/p-1