2-chloranyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 2-chloranyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 2-chloro-N-(4-pyrimidin-2-ylpiperazine-1-carbothioyl)benzamide CAS Name: 2-chloro-N-[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-(4-pyrimidin-2-ylpiperazine-1-carbothioyl)benzamide Traditional Name: 2-chloro-N-[4-(2-pyrimidyl)piperazine-1-carbothioyl]benzamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H16ClN5OS/c17-13-5-2-1-4-12(13)14(23)20-16(24)22-10-8-21(9-11-22)15-18-6-3-7-19-15/h1-7H,8-11H2,(H,20,23,24)