4-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carbaldehyde CAS Name: 4-[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carbaldehyde Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C14H15N3O5S/c18-10-15-5-7-16(8-6-15)13(19)9-17-14(20)11-3-1-2-4-12(11)23(17,21)22/h1-4,10H,5-9H2