5-(4-chlorophenyl)-N-[4-(dimethylamino)butan-2-ylsulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-[4-(dimethylamino)butan-2-ylsulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-[[3-(dimethylamino)-1-methyl-propyl]sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-[4-(dimethylamino)butan-2-ylsulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-[4-(dimethylamino)butan-2-ylsulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-[[3-(dimethylamino)-1-methyl-propyl]sulfamoyl]-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C22H28ClN5O2S2 MolecularWeight: 494.07302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C)NS(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CCN(C)C)NS(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H28ClN5O2S2/c1-16(13-14-27(2)3)25-32(29,30)26-22(31)28-15-20(17-7-5-4-6-8-17)21(24-28)18-9-11-19(23)12-10-18/h4-12,16,20,25H,13-15H2,1-3H3,(H,26,31)