4-[[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(2-naphthoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C32H24N2O4S MolecularWeight: 532.60896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)SC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)SC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H24N2O4S/c35-30(25-14-13-21-7-4-5-10-24(21)19-25)34-27-11-6-12-28(20-27)39-29(22-8-2-1-3-9-22)31(36)33-26-17-15-23(16-18-26)32(37)38/h1-20,29H,(H,33,36)(H,34,35)(H,37,38)