2-oxidanyl-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 5-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-2-21(22(29)25-17-11-12-20(28)19(14-17)23(30)31)33-18-10-6-9-16(13-18)27-24(32)26-15-7-4-3-5-8-15/h3-14,21,28H,2H2,1H3,(H,25,29)(H,30,31)(H2,26,27,32)