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

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-(benzylthio)-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H22N2O2S3 MolecularWeight: 418.59588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)CSCC3=CC=CC=C3)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)CSCC3=CC=CC=C3)N2CCSC

InChI

InChI=1S/C20H22N2O2S3/c1-24-16-8-9-18-17(12-16)22(10-11-25-2)20(27-18)21-19(23)14-26-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3