[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate

Systemtic Name: [2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate Openeye Name: [2-[4-(3-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-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-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-(3-methoxyphenyl)piperazino]ethyl] ester Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S2/c1-16-6-4-7-17(2)24(16)21(27)28-15-20(25)23-12-10-22(11-13-23)18-8-5-9-19(14-18)26-3/h5,8-9,14,16-17H,4,6-7,10-13,15H2,1-3H3/t16-,17-/m1/s1