5,5-dimethyl-2-(phenylcarbamothioyl)-3-(phenylmethyl)imino-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-(phenylcarbamothioyl)-3-(phenylmethyl)imino-cyclohexen-1-olate Openeye Name: 3-benzylimino-5,5-dimethyl-2-(phenylcarbamothioyl)cyclohexen-1-olate CAS Name: 2-[anilino(sulfanylidene)methyl]-5,5-dimethyl-3-(phenylmethyl)imino-1-cyclohexenolate IUPAC Name: 3-benzylimino-5,5-dimethyl-2-(phenylcarbamothioyl)cyclohexen-1-olate Traditional Name: 3-benzylimino-5,5-dimethyl-2-(phenylthiocarbamoyl)cyclohexen-1-olate Formula: C22H23N2OS- MolecularWeight: 363.49582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=NCC2=CC=CC=C2)C1)C(=S)NC3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=NCC2=CC=CC=C2)C1)C(=S)NC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C22H24N2OS/c1-22(2)13-18(23-15-16-9-5-3-6-10-16)20(19(25)14-22)21(26)24-17-11-7-4-8-12-17/h3-12,25H,13-15H2,1-2H3,(H,24,26)/p-1