N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-3-methyl-5-(pivaloylamino)thiophene-2-carboxamide Formula: C18H20BrFN2O2S MolecularWeight: 427.331003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NCC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H20BrFN2O2S/c1-10-7-14(22-17(24)18(2,3)4)25-15(10)16(23)21-9-11-8-12(19)5-6-13(11)20/h5-8H,9H2,1-4H3,(H,21,23)(H,22,24)