2-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2S/c1-15-3-7-17(8-4-15)24-19(27)13-25(2)20(28)14-29-21-23-11-12-26(21)18-9-5-16(22)6-10-18/h3-12H,13-14H2,1-2H3,(H,24,27)