N-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide

Systemtic Name: N-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide Openeye Name: N-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: N-(4-cyclopentyl-1-piperazinyl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: N-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide Traditional Name: N-(4-cyclopentylpiperazino)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-3-carbothioamide Formula: C26H31Cl2N5OS MolecularWeight: 532.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=S)NN4CCN(CC4)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=S)NN4CCN(CC4)C5CCCC5

InChI

InChI=1S/C26H31Cl2N5OS/c1-34-21-9-6-18(7-10-21)25-17-23(29-33(25)24-11-8-19(27)16-22(24)28)26(35)30-32-14-12-31(13-15-32)20-4-2-3-5-20/h6-11,16,20,25H,2-5,12-15,17H2,1H3,(H,30,35)