N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-piperonylamide Formula: C18H13FN2O4S MolecularWeight: 372.370223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C18H13FN2O4S/c1-23-14-4-2-10(6-12(14)19)13-8-26-18(20-13)21-17(22)11-3-5-15-16(7-11)25-9-24-15/h2-8H,9H2,1H3,(H,20,21,22)