2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide

Systemtic Name: 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Openeye Name: 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(1-piperidyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(1-piperidinyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: 2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Traditional Name: 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-piperidino-2-pyrazoline-3-carbothioamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3Cl)C(=S)NN4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3Cl)C(=S)NN4CCCCC4

InChI

InChI=1S/C22H25ClN4OS/c1-28-17-11-9-16(10-12-17)21-15-19(22(29)25-26-13-5-2-6-14-26)24-27(21)20-8-4-3-7-18(20)23/h3-4,7-12,21H,2,5-6,13-15H2,1H3,(H,25,29)