2-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-5-propan-2-yl-thiophene-3-carboxamide

Systemtic Name: 2-[[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-5-propan-2-yl-thiophene-3-carboxamide Openeye Name: 2-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide CAS Name: 2-[[[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide IUPAC Name: 2-[[3-[(2-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-5-propan-2-ylthiophene-3-carboxamide Traditional Name: 2-[[3-[(2-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br)C(=O)N

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br)C(=O)N

InChI

InChI=1S/C23H23BrN2O4S/c1-13(2)20-11-16(21(25)27)23(31-20)26-22(28)14-8-9-18(29-3)15(10-14)12-30-19-7-5-4-6-17(19)24/h4-11,13H,12H2,1-3H3,(H2,25,27)(H,26,28)