butyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzoic acid butyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-2-3-12-24-17(22)15-4-6-16(7-5-15)20-18(25)19-8-9-21-10-13-23-14-11-21/h4-7H,2-3,8-14H2,1H3,(H2,19,20,25)/p+1