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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethyl-piperidine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-ethyl-piperidine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-ethyl-1-piperidinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylpiperidine-1-carbothioamide Traditional Name: 2-ethyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperidine-1-carbothioamide Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCC1CCCCN1C(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H26N4OS/c1-4-15-10-8-9-13-22(15)19(25)20-17-14(2)21(3)23(18(17)24)16-11-6-5-7-12-16/h5-7,11-12,15H,4,8-10,13H2,1-3H3,(H,20,25)