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

Systemtic Name: 4,4-dimethyl-6-oxidanylidene-N-(4-phenylazanylphenyl)-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: N-(4-anilinophenyl)-2-(benzylamino)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C28H29N3OS MolecularWeight: 455.61436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3OS/c1-28(2)17-24(29-19-20-9-5-3-6-10-20)26(25(32)18-28)27(33)31-23-15-13-22(14-16-23)30-21-11-7-4-8-12-21/h3-16,29-30H,17-19H2,1-2H3,(H,31,33)