2-oxidanyl-5-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 5-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H19N3O4S2/c26-19-11-8-16(12-18(19)21(28)29)23-20(27)13-31-17-9-6-15(7-10-17)25-22(30)24-14-4-2-1-3-5-14/h1-12,26H,13H2,(H,23,27)(H,28,29)(H2,24,25,30)