N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-26-18-10-9-15(13-19(18)27-2)22-21(25)17(11-12-29-3)23-20(24)14-28-16-7-5-4-6-8-16/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,25)(H,23,24)