N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5OS/c23-17-7-8-19(18(15-17)20(29)16-5-2-1-3-6-16)26-22(30)28-13-11-27(12-14-28)21-24-9-4-10-25-21/h1-10,15H,11-14H2,(H,26,30)