N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-benzyl-thiadiazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(phenylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-benzylthiadiazole-4-carboxamide Traditional Name: N-benzyl-N-[2-keto-2-(piperonylamino)ethyl]thiadiazole-4-carboxamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C20H18N4O4S/c25-19(21-9-15-6-7-17-18(8-15)28-13-27-17)11-24(10-14-4-2-1-3-5-14)20(26)16-12-29-23-22-16/h1-8,12H,9-11,13H2,(H,21,25)