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

Systemtic Name: N-(3-ethanoylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H19N5OS/c1-13(23)14-4-2-5-15(12-14)20-17(24)22-10-8-21(9-11-22)16-18-6-3-7-19-16/h2-7,12H,8-11H2,1H3,(H,20,24)