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

Systemtic Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one Openeye Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxo-ethyl]-1,3-benzothiazol-2-one CAS Name: 3-[2-(4-nitroso-1-piperazinyl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one Traditional Name: 3-[2-keto-2-(4-nitrosopiperazino)ethyl]-1,3-benzothiazol-2-one Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3SC2=O)N=O

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3SC2=O)N=O

InChI

InChI=1S/C13H14N4O3S/c18-12(15-5-7-16(14-20)8-6-15)9-17-10-3-1-2-4-11(10)21-13(17)19/h1-4H,5-9H2