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

Systemtic Name: 5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)-2-[(4-phenoxyphenyl)carbamothioyl]cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)-2-[(4-phenoxyphenyl)carbamothioyl]cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-[2-(4-morpholin-4-iumyl)ethylimino]-2-[(4-phenoxyanilino)-sulfanylidenemethyl]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)-2-[(4-phenoxyphenyl)carbamothioyl]cyclohexen-1-olate Traditional Name: 5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)-2-[(4-phenoxyphenyl)thiocarbamoyl]cyclohexen-1-olate Formula: C27H33N3O3S MolecularWeight: 479.63422

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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)OC4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=NCC[NH+]2CCOCC2)C1)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)[O-])C

InChI

InChI=1S/C27H33N3O3S/c1-27(2)18-23(28-12-13-30-14-16-32-17-15-30)25(24(31)19-27)26(34)29-20-8-10-22(11-9-20)33-21-6-4-3-5-7-21/h3-11,31H,12-19H2,1-2H3,(H,29,34)