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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-oxidanyl-piperidine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-hydroxy-piperidine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-1-piperidinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxypiperidine-1-carbothioamide Traditional Name: 3-hydroxy-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperidine-1-carbothioamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCC(C3)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCC(C3)O

InChI

InChI=1S/C17H22N4O2S/c1-12-15(18-17(24)20-10-6-9-14(22)11-20)16(23)21(19(12)2)13-7-4-3-5-8-13/h3-5,7-8,14,22H,6,9-11H2,1-2H3,(H,18,24)