[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C16H24N3O2S2+ MolecularWeight: 354.51066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S2/c1-12-4-5-14(21-3)13(10-12)17-15(20)11-23-16(22)19-8-6-18(2)7-9-19/h4-5,10H,6-9,11H2,1-3H3,(H,17,20)/p+1