N-(3-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-nitrophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-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)13-4-1-3-12(11-13)18-15(24)20-9-7-19(8-10-20)14-16-5-2-6-17-14/h1-6,11H,7-10H2,(H,18,24)