ethyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamothioylamino]benzoate CAS Name: 4-[[[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-4-24-16(22)14-5-7-15(8-6-14)20-17(25)19-13-18(2,3)21-9-11-23-12-10-21/h5-8H,4,9-13H2,1-3H3,(H2,19,20,25)/p+1