N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C)OC

InChI

InChI=1S/C20H16N2O5S/c1-4-7-22-13-9-15(24-2)16(25-3)10-18(13)28-20(22)21-19(23)12-5-6-14-17(8-12)27-11-26-14/h1,5-6,8-10H,7,11H2,2-3H3