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

Systemtic Name: 2-oxidanyl-5-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 5-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S2/c1-14(21(28)24-17-9-12-20(27)19(13-17)22(29)30)32-18-10-7-16(8-11-18)26-23(31)25-15-5-3-2-4-6-15/h2-14,27H,1H3,(H,24,28)(H,29,30)(H2,25,26,31)