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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-18-21(22(29)28(25(18)2)20-11-7-4-8-12-20)24-23(30)27-15-13-26(14-16-27)17-19-9-5-3-6-10-19/h3-12H,13-17H2,1-2H3,(H,24,30)