2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-4-methyl-thiophene-3-carboxamide Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C=CC2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O2S/c1-14-18(13-16-5-3-2-4-6-16)28-22(20(14)21(24)27)25-19(26)12-9-15-7-10-17(23)11-8-15/h2-12H,13H2,1H3,(H2,24,27)(H,25,26)/b12-9+