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

Systemtic Name: 4-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[4-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22N2O4S/c1-17(25(30)28-22-10-8-19(9-11-22)27(32)33)34-24-14-12-23(13-15-24)29-26(31)21-7-6-18-4-2-3-5-20(18)16-21/h2-17H,1H3,(H,28,30)(H,29,31)(H,32,33)