4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-(p-anisoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5S/c1-3-22(24(29)26-18-11-7-17(8-12-18)25(30)31)33-21-6-4-5-19(15-21)27-23(28)16-9-13-20(32-2)14-10-16/h4-15,22H,3H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)