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

Systemtic Name: 2-[(4-butylphenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Openeye Name: 2-[(4-butylphenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate CAS Name: 2-[(4-butylanilino)-sulfanylidenemethyl]-5,5-dimethyl-3-[2-(4-morpholin-4-iumyl)ethylimino]-1-cyclohexenolate IUPAC Name: 2-[(4-butylphenyl)carbamothioyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Traditional Name: 2-[(4-butylphenyl)thiocarbamoyl]-5,5-dimethyl-3-(2-morpholin-4-ium-4-ylethylimino)cyclohexen-1-olate Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC[NH+]3CCOCC3)(C)C)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=NCC[NH+]3CCOCC3)(C)C)[O-]

InChI

InChI=1S/C25H37N3O2S/c1-4-5-6-19-7-9-20(10-8-19)27-24(31)23-21(17-25(2,3)18-22(23)29)26-11-12-28-13-15-30-16-14-28/h7-10,29H,4-6,11-18H2,1-3H3,(H,27,31)