propan-2-yl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-13(2)23-16(21)14-3-5-15(6-4-14)19-17(24)18-7-8-20-9-11-22-12-10-20/h3-6,13H,7-12H2,1-2H3,(H2,18,19,24)/p+1