3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(2-naphthoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H20N2O4S/c29-24(27-22-7-3-6-20(15-22)26(31)32)16-33-23-12-10-21(11-13-23)28-25(30)19-9-8-17-4-1-2-5-18(17)14-19/h1-15H,16H2,(H,27,29)(H,28,30)(H,31,32)