4-methyl-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-methyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-methyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-methyl-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-methyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-methyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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