[2-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate Openeye Name: [2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-methylpiperidine-1-carbodithioate CAS Name: 4-methyl-1-piperidinecarbodithioic acid [2-[4-(4-methylsulfonyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]-2-oxoethyl] 4-methylpiperidine-1-carbodithioate Traditional Name: 4-methylpiperidine-1-carbodithioic acid [2-keto-2-[4-(4-mesylpiperazino)anilino]ethyl] ester Formula: C20H30N4O3S3 MolecularWeight: 470.6722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O3S3/c1-16-7-9-23(10-8-16)20(28)29-15-19(25)21-17-3-5-18(6-4-17)22-11-13-24(14-12-22)30(2,26)27/h3-6,16H,7-15H2,1-2H3,(H,21,25)