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

Systemtic Name: 2-[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-(2,4-dibromophenoxy)-1-oxoethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]-4-methyl-thiophene-3-carboxamide Formula: C21H18Br2N2O3S MolecularWeight: 538.25222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Br2N2O3S/c1-12-17(9-13-5-3-2-4-6-13)29-21(19(12)20(24)27)25-18(26)11-28-16-8-7-14(22)10-15(16)23/h2-8,10H,9,11H2,1H3,(H2,24,27)(H,25,26)