N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanyl-ethanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanyl-acetamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylthio)acetamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanylacetamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylthio)acetamide Formula: C20H22N2O3S3 MolecularWeight: 434.59528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSC3=CC=CC=C3)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSC3=CC=CC=C3)S2)CCSC)OC

InChI

InChI=1S/C20H22N2O3S3/c1-24-16-11-15-18(12-17(16)25-2)28-20(22(15)9-10-26-3)21-19(23)13-27-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3