N-(4-fluorophenyl)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethyl)imino-cyclohexane-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4,4-dimethyl-2-oxidanylidene-6-(phenylmethyl)imino-cyclohexane-1-carbothioamide Openeye Name: 2-benzylimino-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-cyclohexanecarbothioamide CAS Name: N-(4-fluorophenyl)-4,4-dimethyl-2-oxo-6-(phenylmethyl)imino-1-cyclohexanecarbothioamide IUPAC Name: 2-benzylimino-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexane-1-carbothioamide Traditional Name: 2-benzylimino-N-(4-fluorophenyl)-6-keto-4,4-dimethyl-cyclohexanecarbothioamide Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCC2=CC=CC=C2)C(C(=O)C1)C(=S)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(CC(=NCC2=CC=CC=C2)C(C(=O)C1)C(=S)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H23FN2OS/c1-22(2)12-18(24-14-15-6-4-3-5-7-15)20(19(26)13-22)21(27)25-17-10-8-16(23)9-11-17/h3-11,20H,12-14H2,1-2H3,(H,25,27)