N-(2-bromophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide

Systemtic Name: N-(2-bromophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide Openeye Name: N-(2-bromophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide CAS Name: N-(2-bromophenyl)-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxamide IUPAC Name: N-(2-bromophenyl)-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxamide Traditional Name: N-(2-bromophenyl)-2-(isovalerylamino)-4-phenyl-thiophene-3-carboxamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrN2O2S/c1-14(2)12-19(26)25-22-20(16(13-28-22)15-8-4-3-5-9-15)21(27)24-18-11-7-6-10-17(18)23/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,25,26)