ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27BrN2O4S2 MolecularWeight: 539.50548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

InChI

InChI=1S/C23H27BrN2O4S2/c1-4-29-22(28)19-15-7-5-6-8-18(15)32-21(19)26-23(31)25-20(27)14-9-10-17(16(24)11-14)30-12-13(2)3/h9-11,13H,4-8,12H2,1-3H3,(H2,25,26,27,31)