[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C12H19N4O2S2+ MolecularWeight: 315.43486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H18N4O2S2/c1-9-7-10(14-18-9)13-11(17)8-20-12(19)16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,13,14,17)/p+1