ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H25BrN2O4S2 MolecularWeight: 525.4789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

InChI

InChI=1S/C22H25BrN2O4S2/c1-4-28-21(27)18-14-6-5-7-17(14)31-20(18)25-22(30)24-19(26)13-8-9-16(15(23)10-13)29-11-12(2)3/h8-10,12H,4-7,11H2,1-3H3,(H2,24,25,26,30)