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

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C24H24ClN3O2S MolecularWeight: 453.98426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O2S/c1-29-23-10-6-5-9-21(23)27-13-15-28(16-14-27)24(31)26-20-17-18(25)11-12-22(20)30-19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3,(H,26,31)