4-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid Openeye Name: 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]benzoic acid CAS Name: 4-[[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-sulfanylidene-5-thiazolidinyl]methylamino]benzoic acid IUPAC Name: 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid Traditional Name: 4-[[4-keto-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]benzoic acid Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN2C(=O)C(SC2=S)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NN2C(=O)C(SC2=S)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4S2/c23-16(10-12-4-2-1-3-5-12)21-22-17(24)15(28-19(22)27)11-20-14-8-6-13(7-9-14)18(25)26/h1-9,15,20H,10-11H2,(H,21,23)(H,25,26)