N-(4-bromophenyl)-2-[2-methoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)phenoxy]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[2-methoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)phenoxy]ethanamide Openeye Name: N-(4-bromophenyl)-2-[2-methoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)phenoxy]acetamide CAS Name: N-(4-bromophenyl)-2-[2-methoxy-4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(4-bromophenyl)-2-[2-methoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)phenoxy]acetamide Traditional Name: N-(4-bromophenyl)-2-[2-methoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)phenoxy]acetamide Formula: C23H29BrN3O4S+ MolecularWeight: 523.46306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)NCCC[NH+]2CCOCC2)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)NCCC[NH+]2CCOCC2)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-29-21-15-17(23(32)25-9-2-10-27-11-13-30-14-12-27)3-8-20(21)31-16-22(28)26-19-6-4-18(24)5-7-19/h3-8,15H,2,9-14,16H2,1H3,(H,25,32)(H,26,28)/p+1