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

Systemtic Name: 2-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-isopentyloxy-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[3-bromo-4-(3-methylbutoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-isoamoxy-benzoyl)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)C2=CC(=C(C=C2)OCCC(C)C)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3S/c1-5-14-12(4)27-20(17(14)18(22)24)23-19(25)13-6-7-16(15(21)10-13)26-9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,22,24)(H,23,25)