2-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-ethoxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(5-bromo-2-ethoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N

InChI

InChI=1S/C17H18BrN3O3S2/c1-4-24-12-6-5-10(18)7-11(12)15(23)20-17(25)21-16-13(14(19)22)8(2)9(3)26-16/h5-7H,4H2,1-3H3,(H2,19,22)(H2,20,21,23,25)