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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-phenyl-piperazine-1-carbothioamide Formula: C22H25N5OS MolecularWeight: 407.5318

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-17-20(21(28)27(24(17)2)19-11-7-4-8-12-19)23-22(29)26-15-13-25(14-16-26)18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3,(H,23,29)