O-[(4-bromophenyl)methyl] 2-[(2-ethyl-6-methyl-phenyl)-(2-iodanylethanoyl)amino]propanethioate

Systemtic Name: O-[(4-bromophenyl)methyl] 2-[(2-ethyl-6-methyl-phenyl)-(2-iodanylethanoyl)amino]propanethioate Openeye Name: O-[(4-bromophenyl)methyl] 2-(2-ethyl-N-(2-iodoacetyl)-6-methyl-anilino)propanethioate CAS Name: 2-(2-ethyl-N-(2-iodo-1-oxoethyl)-6-methylanilino)propanethioic acid O-[(4-bromophenyl)methyl] ester IUPAC Name: O-[(4-bromophenyl)methyl] 2-(2-ethyl-N-(2-iodoacetyl)-6-methylanilino)propanethioate Traditional Name: 2-(2-ethyl-N-(2-iodoacetyl)-6-methyl-anilino)propanethioic acid O-(4-bromobenzyl) ester Formula: C21H23BrINO2S MolecularWeight: 560.28629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(C(C)C(=S)OCC2=CC=C(C=C2)Br)C(=O)CI)C

Isomeric SMILES

CCC1=CC=CC(=C1N(C(C)C(=S)OCC2=CC=C(C=C2)Br)C(=O)CI)C

InChI

InChI=1S/C21H23BrINO2S/c1-4-17-7-5-6-14(2)20(17)24(19(25)12-23)15(3)21(27)26-13-16-8-10-18(22)11-9-16/h5-11,15H,4,12-13H2,1-3H3