2-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]piperazino]-N-isopropyl-acetamide Formula: C24H32BrN3O2S MolecularWeight: 506.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C24H32BrN3O2S/c1-18(2)26-24(29)16-28-12-10-27(11-13-28)15-19-6-4-5-7-23(19)31-17-20-14-21(25)8-9-22(20)30-3/h4-9,14,18H,10-13,15-17H2,1-3H3,(H,26,29)