methyl 3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Openeye Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate CAS Name: 3-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Traditional Name: 3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-20-14(19)12-3-2-4-13(11-12)17-15(22)16-5-6-18-7-9-21-10-8-18/h2-4,11H,5-10H2,1H3,(H2,16,17,22)/p+1