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

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O3S/c1-13-17(11-14-5-3-2-4-6-14)28-21(19(13)20(23)26)24-18(25)12-27-16-9-7-15(22)8-10-16/h2-10H,11-12H2,1H3,(H2,23,26)(H,24,25)