3-(1,3-benzodioxol-5-ylmethylimino)-2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-cyclohexen-1-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylimino)-2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-cyclohexen-1-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethylimino)-2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 3-(1,3-benzodioxol-5-ylmethylimino)-2-[(4-fluoroanilino)-sulfanylidenemethyl]-5,5-dimethyl-1-cyclohexenolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylimino)-2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethylcyclohexen-1-olate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl]-5,5-dimethyl-3-piperonylimino-cyclohexen-1-olate Formula: C23H22FN2O3S- MolecularWeight: 425.495783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=NCC2=CC3=C(C=C2)OCO3)C1)C(=S)NC4=CC=C(C=C4)F)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=NCC2=CC3=C(C=C2)OCO3)C1)C(=S)NC4=CC=C(C=C4)F)[O-])C

InChI

InChI=1S/C23H23FN2O3S/c1-23(2)10-17(25-12-14-3-8-19-20(9-14)29-13-28-19)21(18(27)11-23)22(30)26-16-6-4-15(24)5-7-16/h3-9,27H,10-13H2,1-2H3,(H,26,30)/p-1