[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate CAS Name: (2R,6R)-2,6-dimethyl-1-piperidinecarbodithioic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate Traditional Name: (2R,6R)-2,6-dimethylpiperidine-1-carbodithioic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=S)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=S)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H31N3O2S2/c1-16-5-4-6-17(2)24(16)21(27)28-15-20(25)23-13-11-22(12-14-23)18-7-9-19(26-3)10-8-18/h7-10,16-17H,4-6,11-15H2,1-3H3/t16-,17-/m1/s1