[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C15H22N3OS2+ MolecularWeight: 324.48468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H21N3OS2/c1-12-4-3-5-13(10-12)16-14(19)11-21-15(20)18-8-6-17(2)7-9-18/h3-5,10H,6-9,11H2,1-2H3,(H,16,19)/p+1