N-(2-methoxy-4-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H18N6O3S/c1-25-14-11-12(22(23)24)3-4-13(14)19-16(26)21-9-7-20(8-10-21)15-17-5-2-6-18-15/h2-6,11H,7-10H2,1H3,(H,19,26)