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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=CC=C3Cl)SC2=O)N=O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=CC=C3Cl)SC2=O)N=O

InChI

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