2-[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-hexoxy-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-hexoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-hexoxy-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C)CC)C(=O)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C)CC)C(=O)N)Br

InChI

InChI=1S/C21H27BrN2O3S/c1-4-6-7-8-11-27-17-10-9-14(12-16(17)22)20(26)24-21-18(19(23)25)15(5-2)13(3)28-21/h9-10,12H,4-8,11H2,1-3H3,(H2,23,25)(H,24,26)