3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C21H24N2O4S2/c1-5-25-16-10-13(11-17(26-6-2)19(16)27-7-3)20(24)23-21-22-15-9-8-14(28-4)12-18(15)29-21/h8-12H,5-7H2,1-4H3,(H,22,23,24)