4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-phenylazanylphenyl)butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-phenylazanylphenyl)butanamide Openeye Name: N-(4-anilinophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(4-anilinophenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(4-anilinophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(4-anilinophenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-32-17-16-23(28-24(29)18-31-22-10-6-3-7-11-22)25(30)27-21-14-12-20(13-15-21)26-19-8-4-2-5-9-19/h2-15,23,26H,16-18H2,1H3,(H,27,30)(H,28,29)