N-(2-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-nitrophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-nitrophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-nitrophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O2S/c22-21(23)13-5-2-1-4-12(13)18-15(24)20-10-8-19(9-11-20)14-16-6-3-7-17-14/h1-7H,8-11H2,(H,18,24)