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

Systemtic Name: 3-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[2-[[3-(p-anisoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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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=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-4-23(25(30)28-22-14-18(26(31)32)9-8-16(22)2)34-21-7-5-6-19(15-21)27-24(29)17-10-12-20(33-3)13-11-17/h5-15,23H,4H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)