N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CC4(CC3CC(C4)(C)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CC4(CC3CC(C4)(C)C)C

InChI

InChI=1S/C22H30N4OS/c1-15-18(19(27)26(24(15)5)16-9-7-6-8-10-16)23-20(28)25-14-22(4)12-17(25)11-21(2,3)13-22/h6-10,17H,11-14H2,1-5H3,(H,23,28)