ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C16H23N3O3S/c1-2-22-15(20)13-3-5-14(6-4-13)18-16(23)17-7-8-19-9-11-21-12-10-19/h3-6H,2,7-12H2,1H3,(H2,17,18,23)/p+1