N-[(3-methoxyphenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-m-anisyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-26-18-10-6-7-16(13-18)14-22-21(25)19(11-12-28-2)23-20(24)15-27-17-8-4-3-5-9-17/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,25)(H,23,24)