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

Systemtic Name: 4-methyl-3-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-(2-naphthoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4S/c1-3-26(28(33)31-25-16-22(29(34)35)12-11-18(25)2)36-24-10-6-9-23(17-24)30-27(32)21-14-13-19-7-4-5-8-20(19)15-21/h4-17,26H,3H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)