N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-4-[4-(methylthio)phenyl]butyramide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H21BrN2O3S/c1-13-11-15(21)5-8-17(13)23-20(26)12-22-19(25)10-9-18(24)14-3-6-16(27-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)(H,23,26)