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

Systemtic Name: 2-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-ethoxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(5-bromo-2-ethoxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S2/c1-4-11-9(3)27-17(14(11)15(20)23)22-18(26)21-16(24)12-8-10(19)6-7-13(12)25-5-2/h6-8H,4-5H2,1-3H3,(H2,20,23)(H2,21,22,24,26)