4-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C22H24ClN5OS MolecularWeight: 441.97686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H24ClN5OS/c1-16-20(21(29)28(25(16)2)18-8-4-3-5-9-18)24-22(30)27-13-11-26(12-14-27)19-10-6-7-17(23)15-19/h3-10,15H,11-14H2,1-2H3,(H,24,30)