4-[[(E)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoic acid Openeye Name: 4-[[(E)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]amino]benzoic acid CAS Name: 4-[[(E)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]amino]benzoic acid IUPAC Name: 4-[[(E)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoic acid Traditional Name: 4-[[(E)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]amino]benzoic acid Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)/C(=C\NC3=CC=C(C=C3)C(=O)O)/SC2=S

InChI

InChI=1S/C19H16N2O3S2/c22-17-16(12-20-15-8-6-14(7-9-15)18(23)24)26-19(25)21(17)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,23,24)/b16-12+