N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: 4-methyl-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O3S/c1-11-2-5-13(6-3-11)16(23)20-18-22-21-17(26-18)19-9-12-4-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22,23)