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

Systemtic Name: 2-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3S/c1-5-11(3)13-7-8-16(15(21)9-13)26-10-17(24)23-20-18(19(22)25)14(6-2)12(4)27-20/h7-9,11H,5-6,10H2,1-4H3,(H2,22,25)(H,23,24)