1-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]azepane-2,7-dione

Systemtic Name: 1-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]azepane-2,7-dione Openeye Name: 1-[(4-chloro-1,3-benzothiazol-2-yl)amino]azepane-2,7-dione CAS Name: 1-[(4-chloro-1,3-benzothiazol-2-yl)amino]azepane-2,7-dione IUPAC Name: 1-[(4-chloro-1,3-benzothiazol-2-yl)amino]azepane-2,7-dione Traditional Name: 1-[(4-chloro-1,3-benzothiazol-2-yl)amino]azepane-2,7-quinone Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C13H12ClN3O2S/c14-8-4-3-5-9-12(8)15-13(20-9)16-17-10(18)6-1-2-7-11(17)19/h3-5H,1-2,6-7H2,(H,15,16)