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

Systemtic Name: 6-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[4-(1,3-benzothiazol-2-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(CCN1CC2=CC3=C(C=C2)OCC(=O)N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCC(=O)N3)C4=NC5=CC=CC=C5S4

InChI

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