2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylmethylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylmethylthio)acetamide Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC3=NC4=CC=CC=C4S3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC3=NC4=CC=CC=C4S3)OCO2

InChI

InChI=1S/C19H16N2O4S2/c1-11(22)12-6-15-16(25-10-24-15)7-14(12)20-18(23)8-26-9-19-21-13-4-2-3-5-17(13)27-19/h2-7H,8-10H2,1H3,(H,20,23)