N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3S/c1-28-14-12-19(24-20(25)15-27-18-5-3-2-4-6-18)21(26)23-17-9-7-16(8-10-17)11-13-22/h2-10,19H,11-12,14-15H2,1H3,(H,23,26)(H,24,25)