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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

InChI

InChI=1S/C22H25BrN2O4S2/c1-12(2)9-10-29-16-8-7-13(11-15(16)23)19(26)24-22(30)25-20-18(21(27)28-3)14-5-4-6-17(14)31-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,24,25,26,30)