[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid (2-cumidino-2-keto-ethyl) ester Formula: C17H26N3OS2+ MolecularWeight: 352.53784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS2/c1-13(2)14-4-6-15(7-5-14)18-16(21)12-23-17(22)20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,21)/p+1