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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C20H18N4O4S/c1-13-2-5-15(6-3-13)24(20(26)16-11-29-23-22-16)10-19(25)21-9-14-4-7-17-18(8-14)28-12-27-17/h2-8,11H,9-10,12H2,1H3,(H,21,25)