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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4S/c1-2-25(27(32)29-22-14-12-19(13-15-22)28(33)34)35-24-9-5-8-23(17-24)30-26(31)21-11-10-18-6-3-4-7-20(18)16-21/h3-17,25H,2H2,1H3,(H,29,32)(H,30,31)(H,33,34)