2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H26BrN3O3S2 MolecularWeight: 560.52624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O3S2/c1-14(2)13-32-19-10-9-17(12-18(19)26)23(31)28-25(33)29-24-21(22(27)30)15(3)20(34-24)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3,(H2,27,30)(H2,28,29,31,33)