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

Systemtic Name: 2-[[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[3-[(4-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[3-[(4-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]thiophene-3-carboxamide Formula: C27H23BrN2O4S MolecularWeight: 551.45152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H23BrN2O4S/c1-33-24-12-7-18(14-19(24)16-34-21-10-8-20(28)9-11-21)26(32)30-27-23(25(29)31)15-22(35-27)13-17-5-3-2-4-6-17/h2-12,14-15H,13,16H2,1H3,(H2,29,31)(H,30,32)