[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C17H25N3OS2 MolecularWeight: 351.5299

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(=S)N2CCN(CC2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC(=S)N2CCN(CC2)C)C

InChI

InChI=1S/C17H25N3OS2/c1-4-14-7-5-6-13(2)16(14)18-15(21)12-23-17(22)20-10-8-19(3)9-11-20/h5-7H,4,8-12H2,1-3H3,(H,18,21)