N-(4-methylpiperazin-1-yl)-2-nitro-benzenecarbothioamide

Systemtic Name: N-(4-methylpiperazin-1-yl)-2-nitro-benzenecarbothioamide Openeye Name: N-(4-methylpiperazin-1-yl)-2-nitro-benzenecarbothioamide CAS Name: N-(4-methyl-1-piperazinyl)-2-nitrobenzenecarbothioamide IUPAC Name: N-(4-methylpiperazin-1-yl)-2-nitrobenzenecarbothioamide Traditional Name: N-(4-methylpiperazino)-2-nitro-thiobenzamide Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC(=S)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-14-6-8-15(9-7-14)13-12(19)10-4-2-3-5-11(10)16(17)18/h2-5H,6-9H2,1H3,(H,13,19)