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

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[1-[(4-bromophenyl)methyl]-3-indolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[1-(4-bromobenzyl)indol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-14-10-20(24-27-14)23-21(26)13-28-19-12-25(18-5-3-2-4-17(18)19)11-15-6-8-16(22)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24,26)