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

Systemtic Name: N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxamide IUPAC Name: N-(4-bromophenyl)-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxamide Traditional Name: N-(4-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=C(C=C3)Br

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Br

InChI

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