2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl N,N-diethylcarbamodithioate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl N,N-diethylcarbamodithioate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C14H18N2O3S3 MolecularWeight: 358.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCN(CC)C(=S)SCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C14H18N2O3S3/c1-3-15(4-2)14(20)21-10-9-16-13(17)11-7-5-6-8-12(11)22(16,18)19/h5-8H,3-4,9-10H2,1-2H3