N-[(4-acetamidophenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(4-acetamidobenzyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4S/c1-16(26)24-18-10-8-17(9-11-18)14-23-22(28)20(12-13-30-2)25-21(27)15-29-19-6-4-3-5-7-19/h3-11,20H,12-15H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)