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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(4-ethylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-ethylphenyl)-4-thiadiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide Traditional Name: N-(4-ethylphenyl)-N-[2-keto-2-(piperonylamino)ethyl]thiadiazole-4-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H20N4O4S/c1-2-14-3-6-16(7-4-14)25(21(27)17-12-30-24-23-17)11-20(26)22-10-15-5-8-18-19(9-15)29-13-28-18/h3-9,12H,2,10-11,13H2,1H3,(H,22,26)