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

Systemtic Name: 2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N)Br

InChI

InChI=1S/C20H24BrN3O3S2/c1-4-6-9-27-15-8-7-12(10-14(15)21)18(26)23-20(28)24-19-16(17(22)25)13(5-2)11(3)29-19/h7-8,10H,4-6,9H2,1-3H3,(H2,22,25)(H2,23,24,26,28)