2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

InChI

InChI=1S/C22H21BrN2O3S/c1-13-10-16(8-9-17(13)23)28-12-19(26)25-22-20(21(24)27)14(2)18(29-22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,24,27)(H,25,26)