N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(piperonylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CNC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C22H18N4O4S/c27-20(23-11-14-3-6-17-18(9-14)30-13-29-17)12-24-21(28)15-4-5-16-19(10-15)31-22(25-16)26-7-1-2-8-26/h1-10H,11-13H2,(H,23,27)(H,24,28)