2-[(4-chlorophenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide Openeye Name: 2-[(4-chlorophenyl)methylamino]-4,4-dimethyl-6-oxo-N-phenyl-cyclohexene-1-carbothioamide CAS Name: 2-[(4-chlorophenyl)methylamino]-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexenecarbothioamide IUPAC Name: 2-[(4-chlorophenyl)methylamino]-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide Traditional Name: 2-[(4-chlorobenzyl)amino]-6-keto-4,4-dimethyl-N-phenyl-cyclohexene-1-carbothioamide Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN2OS/c1-22(2)12-18(24-14-15-8-10-16(23)11-9-15)20(19(26)13-22)21(27)25-17-6-4-3-5-7-17/h3-11,24H,12-14H2,1-2H3,(H,25,27)