(5R)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenyl-2-(phenylcarbamothioyl)cyclohexen-1-olate

Systemtic Name: (5R)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenyl-2-(phenylcarbamothioyl)cyclohexen-1-olate Openeye Name: (5R)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenyl-2-(phenylcarbamothioyl)cyclohexen-1-olate CAS Name: (5R)-2-[anilino(sulfanylidene)methyl]-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenyl-1-cyclohexenolate IUPAC Name: (5R)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenyl-2-(phenylcarbamothioyl)cyclohexen-1-olate Traditional Name: (5R)-5-phenyl-2-(phenylthiocarbamoyl)-3-piperonylimino-cyclohexen-1-olate Formula: C27H23N2O3S- MolecularWeight: 455.54812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=NCC2=CC3=C(C=C2)OCO3)C(=C1[O-])C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CC(=NCC2=CC3=C(C=C2)OCO3)C(=C1[O-])C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3S/c30-23-15-20(19-7-3-1-4-8-19)14-22(26(23)27(33)29-21-9-5-2-6-10-21)28-16-18-11-12-24-25(13-18)32-17-31-24/h1-13,20,30H,14-17H2,(H,29,33)/p-1/t20-/m1/s1