N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide

Systemtic Name: N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: 2-(benzylamino)-N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: 2-(benzylamino)-N-(2,4-dichlorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: 2-(benzylamino)-N-(2,4-dichlorophenyl)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C22H22Cl2N2OS MolecularWeight: 433.39388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N2OS/c1-22(2)11-18(25-13-14-6-4-3-5-7-14)20(19(27)12-22)21(28)26-17-9-8-15(23)10-16(17)24/h3-10,25H,11-13H2,1-2H3,(H,26,28)