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

Systemtic Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-one Openeye Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxo-ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-one CAS Name: 3-[2-(4-nitroso-1-piperazinyl)-2-oxoethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-one IUPAC Name: 3-[2-(4-nitrosopiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-one Traditional Name: 3-[2-keto-2-(4-nitrosopiperazino)ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-one Formula: C14H13F3N4O3S MolecularWeight: 374.33823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N4O3S/c15-14(16,17)9-1-2-11-10(7-9)21(13(23)25-11)8-12(22)19-3-5-20(18-24)6-4-19/h1-2,7H,3-6,8H2