3-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)Br

InChI

InChI=1S/C20H20BrN3O2S2/c1-11(2)10-26-16-7-6-12(8-15(16)21)18(25)23-20(27)24-19-14(9-22)13-4-3-5-17(13)28-19/h6-8,11H,3-5,10H2,1-2H3,(H2,23,24,25,27)