4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-N-(4-phenoxyphenyl)cyclohexane-1-carbothioamide

Systemtic Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-N-(4-phenoxyphenyl)cyclohexane-1-carbothioamide Openeye Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxo-N-(4-phenoxyphenyl)cyclohexanecarbothioamide CAS Name: 4,4-dimethyl-2-[2-(4-morpholin-4-iumyl)ethylimino]-6-oxo-N-(4-phenoxyphenyl)-1-cyclohexanecarbothioamide IUPAC Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxo-N-(4-phenoxyphenyl)cyclohexane-1-carbothioamide Traditional Name: 2-keto-4,4-dimethyl-6-(2-morpholin-4-ium-4-ylethylimino)-N-(4-phenoxyphenyl)cyclohexanecarbothioamide Formula: C27H34N3O3S+ MolecularWeight: 480.64216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=NCC[NH+]2CCOCC2)C(C(=O)C1)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)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/h3-11,25H,12-19H2,1-2H3,(H,29,34)/p+1