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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-hydroxyphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-16-20(21(29)27(24(16)2)18-6-4-3-5-7-18)23-22(30)26-14-12-25(13-15-26)17-8-10-19(28)11-9-17/h3-11,28H,12-15H2,1-2H3,(H,23,30)