O-(1,3-benzothiazol-2-yl) 4-ethyl-2,3-bis(oxidanylidene)piperazine-1-carbothioate

Systemtic Name: O-(1,3-benzothiazol-2-yl) 4-ethyl-2,3-bis(oxidanylidene)piperazine-1-carbothioate Openeye Name: O-(1,3-benzothiazol-2-yl) 4-ethyl-2,3-dioxo-piperazine-1-carbothioate CAS Name: 4-ethyl-2,3-dioxo-1-piperazinecarbothioic acid O-(1,3-benzothiazol-2-yl) ester IUPAC Name: O-(1,3-benzothiazol-2-yl) 4-ethyl-2,3-dioxopiperazine-1-carbothioate Traditional Name: 4-ethyl-2,3-diketo-piperazine-1-carbothioic acid O-(1,3-benzothiazol-2-yl) ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=S)OC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=S)OC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3O3S2/c1-2-16-7-8-17(12(19)11(16)18)14(21)20-13-15-9-5-3-4-6-10(9)22-13/h3-6H,2,7-8H2,1H3