N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]quinoline-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]quinoline-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]quinoline-2-carboxamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)quinaldamide Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O3S/c1-13-20(11-14-6-9-18-19(10-14)28-12-27-18)29-22(23-13)25-21(26)17-8-7-15-4-2-3-5-16(15)24-17/h2-10H,11-12H2,1H3,(H,23,25,26)