(pyridin-3-ylcarbonylamino)methyl 4-methylpiperazine-1-carbodithioate

Systemtic Name: (pyridin-3-ylcarbonylamino)methyl 4-methylpiperazine-1-carbodithioate Openeye Name: (pyridine-3-carbonylamino)methyl 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [[oxo(3-pyridinyl)methyl]amino]methyl ester IUPAC Name: (pyridine-3-carbonylamino)methyl 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid nicotinamidomethyl ester Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCNC(=O)C2=CN=CC=C2

Isomeric SMILES

CN1CCN(CC1)C(=S)SCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H18N4OS2/c1-16-5-7-17(8-6-16)13(19)20-10-15-12(18)11-3-2-4-14-9-11/h2-4,9H,5-8,10H2,1H3,(H,15,18)