[2-oxidanylidene-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-oxo-2-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-oxo-2-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-keto-2-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]amino]ethyl] ester Formula: C18H18N4OS4 MolecularWeight: 434.62172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CN(C)C(=S)SCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C18H18N4OS4/c1-22(2)18(24)26-11-16(23)20-13-5-6-14-15(8-13)27-17(21-14)25-10-12-4-3-7-19-9-12/h3-9H,10-11H2,1-2H3,(H,20,23)