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

Systemtic Name: 2-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[[4-[(4-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide Formula: C26H21BrN2O3S MolecularWeight: 521.42554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C26H21BrN2O3S/c27-20-10-12-21(13-11-20)32-16-18-6-8-19(9-7-18)25(31)29-26-23(24(28)30)15-22(33-26)14-17-4-2-1-3-5-17/h1-13,15H,14,16H2,(H2,28,30)(H,29,31)