butyl 4-[[2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-(m-toluoylamino)butanoyl]amino]benzoic acid butyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C24H30N2O4S/c1-4-5-14-30-24(29)18-9-11-20(12-10-18)25-23(28)21(13-15-31-3)26-22(27)19-8-6-7-17(2)16-19/h6-12,16,21H,4-5,13-15H2,1-3H3,(H,25,28)(H,26,27)