4-(4-methoxyphenyl)-6-oxidanylidene-N-phenyl-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)-6-oxidanylidene-N-phenyl-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenyl-cyclohexene-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)-6-oxo-N-phenyl-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide Traditional Name: 2-(benzylamino)-6-keto-4-(4-methoxyphenyl)-N-phenyl-cyclohexene-1-carbothioamide Formula: C27H26N2O2S MolecularWeight: 442.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C(=S)NC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C(=S)NC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-31-23-14-12-20(13-15-23)21-16-24(28-18-19-8-4-2-5-9-19)26(25(30)17-21)27(32)29-22-10-6-3-7-11-22/h2-15,21,28H,16-18H2,1H3,(H,29,32)