N-(4-iodanyl-2-methyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(4-iodo-2-methylphenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(4-iodo-2-methylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN2O3S/c1-14-12-15(21)8-9-17(14)23-20(25)18(10-11-27-2)22-19(24)13-26-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)