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

Systemtic Name: 3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=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)29-23-8-4-7-21(16-23)27(32)33)34-24-13-11-22(12-14-24)28-26(31)20-10-9-18-5-2-3-6-19(18)15-20/h2-17H,1H3,(H,28,31)(H,29,30)(H,32,33)