N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-17-7-6-10-19(15-17)27-13-12-23-22(26)20(11-14-29-2)24-21(25)16-28-18-8-4-3-5-9-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,23,26)(H,24,25)