methyl 2-[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-(p-toluoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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