N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-oxidanylidene-1H-2-benzofuran-5-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-oxidanylidene-1H-2-benzofuran-5-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-oxo-1H-isobenzofuran-5-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-oxo-1H-isobenzofuran-5-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-oxo-1H-2-benzofuran-5-carboxamide Traditional Name: 3-keto-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]phthalan-5-carboxamide Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5)C(=O)O1

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5)C(=O)O1

InChI

InChI=1S/C19H14N4O5S/c24-16(11-2-3-12-8-26-17(25)13(12)6-11)21-19-23-22-18(29-19)20-7-10-1-4-14-15(5-10)28-9-27-14/h1-6H,7-9H2,(H,20,22)(H,21,23,24)