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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(4-ethoxyphenyl)thiadiazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)thiadiazole-4-carboxamide Traditional Name: N-[2-keto-2-(piperonylamino)ethyl]-N-p-phenetyl-thiadiazole-4-carboxamide Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H20N4O5S/c1-2-28-16-6-4-15(5-7-16)25(21(27)17-12-31-24-23-17)11-20(26)22-10-14-3-8-18-19(9-14)30-13-29-18/h3-9,12H,2,10-11,13H2,1H3,(H,22,26)