2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[[4-(4-nitrophenyl)piperazino]methyl]-1,2-benzothiazol-3-one Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c23-18-16-3-1-2-4-17(16)28(26,27)21(18)13-19-9-11-20(12-10-19)14-5-7-15(8-6-14)22(24)25/h1-8H,9-13H2