methyl 2-[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-(p-toluoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H24N2O4S/c1-16-8-10-18(11-9-16)24(29)26-19-12-14-20(15-13-19)32-17(2)23(28)27-22-7-5-4-6-21(22)25(30)31-3/h4-15,17H,1-3H3,(H,26,29)(H,27,28)