[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C17H21N4OS3+ MolecularWeight: 393.56984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS3/c1-20-7-9-21(10-8-20)17(23)25-12-15(22)19-16-18-14(11-24-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,18,19,22)/p+1