[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C22H25BrN2O4S/c1-4-25(5-2)22(28)16-6-9-18(10-7-16)24-20(26)13-29-21(27)14-30-19-11-8-17(23)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)