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

Systemtic Name: 5-chloranyl-3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one Openeye Name: 5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxo-ethyl]-1,3-benzothiazol-2-one CAS Name: 5-chloro-3-[2-(4-nitroso-1-piperazinyl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 5-chloro-3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one Traditional Name: 5-chloro-3-[2-keto-2-(4-nitrosopiperazino)ethyl]-1,3-benzothiazol-2-one Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)N=O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O)N=O

InChI

InChI=1S/C13H13ClN4O3S/c14-9-1-2-11-10(7-9)18(13(20)22-11)8-12(19)16-3-5-17(15-21)6-4-16/h1-2,7H,3-6,8H2