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

Systemtic Name: (E)-3-(2,4-dichlorophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(2,4-dichlorophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(2,4-dichlorophenyl)-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dichlorophenyl)-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-(2,4-dichlorophenyl)-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)acrylamide Formula: C17H22Cl2N3O2S+ MolecularWeight: 403.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2N3O2S/c18-14-4-2-13(15(19)12-14)3-5-16(23)21-17(25)20-6-1-7-22-8-10-24-11-9-22/h2-5,12H,1,6-11H2,(H2,20,21,23,25)/p+1/b5-3+