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

Systemtic Name: 3-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[2-[[3-(p-anisoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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