2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(p-toluoylamino)benzoyl]amino]butyric acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-13-7-9-14(10-8-13)18(23)21-16-6-4-3-5-15(16)19(24)22-17(20(25)26)11-12-27-2/h3-10,17H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)