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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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