2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

InChI

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