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

Systemtic Name: 3-[2-[4-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-(m-anisoylamino)phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H22N2O5S/c1-15-6-7-17(24(29)30)13-21(15)26-22(27)14-32-20-10-8-18(9-11-20)25-23(28)16-4-3-5-19(12-16)31-2/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)