6-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[4-[(5-bromo-2-thienyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C18H18BrN3O3S/c19-16-4-2-13(26-16)10-21-5-7-22(8-6-21)18(24)12-1-3-15-14(9-12)20-17(23)11-25-15/h1-4,9H,5-8,10-11H2,(H,20,23)