methyl 2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)phenyl]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-21-15(20)12-13-2-4-14(5-3-13)18-16(23)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H2,17,18,23)/p+1