N-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]piperidine-1-carbothioamide

Systemtic Name: N-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]piperidine-1-carbothioamide Openeye Name: N-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]piperidine-1-carbothioamide CAS Name: N-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]-1-piperidinecarbothioamide IUPAC Name: N-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperidine-1-carbothioamide Traditional Name: N-[(E)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]piperidine-1-carbothioamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)N3CCCCC3

InChI

InChI=1S/C18H23N5OS/c1-14-16(13-19-20-18(25)22-11-7-4-8-12-22)17(24)23(21(14)2)15-9-5-3-6-10-15/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)/b19-13+