2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]piperazino]-N-isopropyl-acetamide Formula: C25H30BrN5O2S MolecularWeight: 544.507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C25H30BrN5O2S/c1-17(2)27-23(32)15-30-10-12-31(13-11-30)24-25(29-21-7-5-4-6-20(21)28-24)34-16-18-14-19(26)8-9-22(18)33-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)