6-bromanyl-5-chloranyl-3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one

Systemtic Name: 6-bromanyl-5-chloranyl-3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one Openeye Name: 6-bromo-5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxo-ethyl]-1,3-benzothiazol-2-one CAS Name: 6-bromo-5-chloro-3-[2-(4-nitroso-1-piperazinyl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 6-bromo-5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one Traditional Name: 6-bromo-5-chloro-3-[2-keto-2-(4-nitrosopiperazino)ethyl]-1,3-benzothiazol-2-one Formula: C13H12BrClN4O3S MolecularWeight: 419.68138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC(=C(C=C3SC2=O)Br)Cl)N=O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC(=C(C=C3SC2=O)Br)Cl)N=O

InChI

InChI=1S/C13H12BrClN4O3S/c14-8-5-11-10(6-9(8)15)19(13(21)23-11)7-12(20)17-1-3-18(16-22)4-2-17/h5-6H,1-4,7H2