2-[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[2-[(4-bromophenyl)thio]-1-oxoethyl]-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[2-[(4-bromophenyl)thio]acetyl]piperazino]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O3S/c1-13-10-16(21-26-13)20-17(24)11-22-6-8-23(9-7-22)18(25)12-27-15-4-2-14(19)3-5-15/h2-5,10H,6-9,11-12H2,1H3,(H,20,21,24)