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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-13-16(17(25)23(20(13)3)15-7-5-4-6-8-15)19-18(26)22-11-9-21(10-12-22)14(2)24/h4-8H,9-12H2,1-3H3,(H,19,26)