[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H19N5OS2/c1-21-6-8-22(9-7-21)17(24)25-11-15(23)12(10-18)16-19-13-4-2-3-5-14(13)20-16/h2-5,12H,6-9,11H2,1H3,(H,19,20)