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

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(benzylthio)-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCSC)OC

InChI

InChI=1S/C21H24N2O3S3/c1-25-17-11-16-19(12-18(17)26-2)29-21(23(16)9-10-27-3)22-20(24)14-28-13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3