N-[3-cyano-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophen-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-cyano-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophen-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-cyano-5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-thienyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-5-[(2-fluoroanilino)-oxomethyl]-4-methyl-2-thiophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-cyano-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-cyano-5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-thienyl]-piperonylamide Formula: C21H14FN3O4S MolecularWeight: 423.416963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H14FN3O4S/c1-11-13(9-23)21(25-19(26)12-6-7-16-17(8-12)29-10-28-16)30-18(11)20(27)24-15-5-3-2-4-14(15)22/h2-8H,10H2,1H3,(H,24,27)(H,25,26)