5-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-[(4-methyl-1-piperazinyl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-(4-methylpiperazino)sulfonyl-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C21H24ClN5O2S2 MolecularWeight: 478.03056

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5O2S2/c1-25-11-13-26(14-12-25)31(28,29)24-21(30)27-15-19(16-5-3-2-4-6-16)20(23-27)17-7-9-18(22)10-8-17/h2-10,19H,11-15H2,1H3,(H,24,30)