1-(6-azanyl-1,3-benzothiazol-2-yl)azepane-2,7-dione

Systemtic Name: 1-(6-azanyl-1,3-benzothiazol-2-yl)azepane-2,7-dione Openeye Name: 1-(6-amino-1,3-benzothiazol-2-yl)azepane-2,7-dione CAS Name: 1-(6-amino-1,3-benzothiazol-2-yl)azepane-2,7-dione IUPAC Name: 1-(6-amino-1,3-benzothiazol-2-yl)azepane-2,7-dione Traditional Name: 1-(6-amino-1,3-benzothiazol-2-yl)azepane-2,7-quinone Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C13H13N3O2S/c14-8-5-6-9-10(7-8)19-13(15-9)16-11(17)3-1-2-4-12(16)18/h5-7H,1-4,14H2