ethyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-2-23-16(21)14-4-6-15(7-5-14)19-17(24)18-8-3-9-20-10-12-22-13-11-20/h4-7H,2-3,8-13H2,1H3,(H2,18,19,24)/p+1