(E)-3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)acrylamide Formula: C17H23BrN3O2S+ MolecularWeight: 413.35242

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrN3O2S/c18-15-5-2-14(3-6-15)4-7-16(22)20-17(24)19-8-1-9-21-10-12-23-13-11-21/h2-7H,1,8-13H2,(H2,19,20,22,24)/p+1/b7-4+