2-[3-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoic acid

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoic acid Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]-4-oxo-thiazolidin-2-yl]benzoic acid CAS Name: 2-[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxo-2-thiazolidinyl]benzoic acid IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoic acid Traditional Name: 2-[4-keto-3-[(2-methoxyphenyl)thiocarbamoylamino]thiazolidin-2-yl]benzoic acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NN2C(SCC2=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NN2C(SCC2=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17N3O4S2/c1-25-14-9-5-4-8-13(14)19-18(26)20-21-15(22)10-27-16(21)11-6-2-3-7-12(11)17(23)24/h2-9,16H,10H2,1H3,(H,23,24)(H2,19,20,26)