2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate

Systemtic Name: 2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Openeye Name: 2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate CAS Name: 2-[(4-fluoroanilino)-sulfanylidenemethyl]-5,5-dimethyl-3-[2-(4-morpholin-4-iumyl)ethylimino]-1-cyclohexenolate IUPAC Name: 2-[(4-fluorophenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=NCC[NH+]2CCOCC2)C1)C(=S)NC3=CC=C(C=C3)F)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=NCC[NH+]2CCOCC2)C1)C(=S)NC3=CC=C(C=C3)F)[O-])C

InChI

InChI=1S/C21H28FN3O2S/c1-21(2)13-17(23-7-8-25-9-11-27-12-10-25)19(18(26)14-21)20(28)24-16-5-3-15(22)4-6-16/h3-6,26H,7-14H2,1-2H3,(H,24,28)