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

Systemtic Name: 2-[(5-bromanyl-2-hexoxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-hexoxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(5-bromo-2-hexoxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-hexoxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C22H28BrN3O3S2 MolecularWeight: 526.51002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C22H28BrN3O3S2/c1-4-6-7-8-11-29-17-10-9-14(23)12-16(17)20(28)25-22(30)26-21-18(19(24)27)15(5-2)13(3)31-21/h9-10,12H,4-8,11H2,1-3H3,(H2,24,27)(H2,25,26,28,30)