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

Systemtic Name: 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(5-bromo-2-isopentyloxy-benzoyl)amino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(5-bromo-2-isoamoxy-benzoyl)amino]-4-methyl-thiophene-3-carboxamide Formula: C25H27BrN2O3S MolecularWeight: 515.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O3S/c1-15(2)11-12-31-20-10-9-18(26)14-19(20)24(30)28-25-22(23(27)29)16(3)21(32-25)13-17-7-5-4-6-8-17/h4-10,14-15H,11-13H2,1-3H3,(H2,27,29)(H,28,30)