N-(5-chloranyl-2-phenoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5OS/c22-16-7-8-19(28-17-5-2-1-3-6-17)18(15-16)25-21(29)27-13-11-26(12-14-27)20-23-9-4-10-24-20/h1-10,15H,11-14H2,(H,25,29)