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

Systemtic Name: 2-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]-5-propan-2-yl-thiophene-3-carboxamide Openeye Name: 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide CAS Name: 2-[[[4-[(4-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide IUPAC Name: 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-propan-2-ylthiophene-3-carboxamide Traditional Name: 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C22H21BrN2O3S/c1-13(2)19-11-18(20(24)26)22(29-19)25-21(27)15-5-3-14(4-6-15)12-28-17-9-7-16(23)8-10-17/h3-11,13H,12H2,1-2H3,(H2,24,26)(H,25,27)