2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazino]methyl]-4H-1,4-benzoxazin-3-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2C(=O)NC3=CC=CC=C3O2)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2C(=O)NC3=CC=CC=C3O2)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C20H20N4O2S/c25-20-17(26-16-7-3-2-6-15(16)21-20)13-23-9-11-24(12-10-23)19-14-5-1-4-8-18(14)27-22-19/h1-8,17H,9-13H2,(H,21,25)