methyl 3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H16BrN3O3S MolecularWeight: 446.31764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrN3O3S/c1-26-18(25)13-3-2-4-15(11-13)22-17(24)12-27-19-21-9-10-23(19)16-7-5-14(20)6-8-16/h2-11H,12H2,1H3,(H,22,24)