N-(3-chlorophenyl)-4-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)piperidine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)piperidine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)piperidine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-piperidinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)piperidine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(5-keto-1-phenyl-3-pyrazolin-3-yl)piperidine-1-carbothioamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=O)N(N2)C3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=CC(=O)N(N2)C3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-16-5-4-6-17(13-16)23-21(28)25-11-9-15(10-12-25)19-14-20(27)26(24-19)18-7-2-1-3-8-18/h1-8,13-15,24H,9-12H2,(H,23,28)