5-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C22H26ClN5O2S2 MolecularWeight: 492.05714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H26ClN5O2S2/c1-26-12-5-13-27(15-14-26)32(29,30)25-22(31)28-16-20(17-6-3-2-4-7-17)21(24-28)18-8-10-19(23)11-9-18/h2-4,6-11,20H,5,12-16H2,1H3,(H,25,31)