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

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4OS/c23-17-9-10-20(28-18-6-2-1-3-7-18)19(16-17)25-22(29)27-14-12-26(13-15-27)21-8-4-5-11-24-21/h1-11,16H,12-15H2,(H,25,29)