4-methylsulfanyl-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: 4-methylsulfanyl-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: 4-methylsulfanyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide IUPAC Name: 4-methylsulfanyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(2-keto-2-mesidino-ethyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C24H31N3O4S/c1-16-12-17(2)23(18(3)13-16)27-21(28)14-25-24(30)20(10-11-32-4)26-22(29)15-31-19-8-6-5-7-9-19/h5-9,12-13,20H,10-11,14-15H2,1-4H3,(H,25,30)(H,26,29)(H,27,28)