2-[4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-azanium chloride Openeye Name: 2-[4-[(5Z)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-ammonium chloride CAS Name: 2-[4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-[4-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyloxy]ethyl-dimethylazanium chloride Traditional Name: 2-[4-[(5Z)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butanoyloxy]ethyl-dimethyl-ammonium chloride Formula: C18H22BrClN2O3S2 MolecularWeight: 493.86588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)CCCN1C(=O)C(=CC2=CC(=CC=C2)Br)SC1=S.[Cl-]

Isomeric SMILES

C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/C2=CC(=CC=C2)Br)/SC1=S.[Cl-]

InChI

InChI=1S/C18H21BrN2O3S2.ClH/c1-20(2)9-10-24-16(22)7-4-8-21-17(23)15(26-18(21)25)12-13-5-3-6-14(19)11-13;/h3,5-6,11-12H,4,7-10H2,1-2H3;1H/b15-12-;