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

Systemtic Name: methyl 4-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC[NH+]2CCOCC2

InChI

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