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

Systemtic Name: 4-methyl-3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[4-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H24N2O4S/c1-17-7-8-22(28(33)34)16-25(17)30-26(31)18(2)35-24-13-11-23(12-14-24)29-27(32)21-10-9-19-5-3-4-6-20(19)15-21/h3-16,18H,1-2H3,(H,29,32)(H,30,31)(H,33,34)