2-(1,3-benzodioxol-5-ylcarbonylamino)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-[(4-fluorophenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-N-[(4-fluorophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-(piperonyloylamino)thiazole-4-carboxamide Formula: C19H14FN3O4S MolecularWeight: 399.395563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=CS3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=CS3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C19H14FN3O4S/c20-13-4-1-11(2-5-13)8-21-18(25)14-9-28-19(22-14)23-17(24)12-3-6-15-16(7-12)27-10-26-15/h1-7,9H,8,10H2,(H,21,25)(H,22,23,24)