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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C

InChI

InChI=1S/C22H21BrN2O3S/c1-3-16-13(2)29-22(20(16)21(24)27)25-19(26)12-28-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H2,24,27)(H,25,26)