3-[2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(5Z)-5-(4-carbomethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]propyl-dimethyl-ammonium Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)SC1=S

Isomeric SMILES

C[NH+](C)CCCNC(=O)CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/SC1=S

InChI

InChI=1S/C19H23N3O4S2/c1-21(2)10-4-9-20-16(23)12-22-17(24)15(28-19(22)27)11-13-5-7-14(8-6-13)18(25)26-3/h5-8,11H,4,9-10,12H2,1-3H3,(H,20,23)/p+1/b15-11-