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

Systemtic Name: 5-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H24BrN3O2S2 MolecularWeight: 506.47886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C22H24BrN3O2S2/c1-2-3-4-5-11-28-18-10-9-14(23)12-16(18)20(27)25-22(29)26-21-17(13-24)15-7-6-8-19(15)30-21/h9-10,12H,2-8,11H2,1H3,(H2,25,26,27,29)