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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C20H20BrN3O2S2/c1-2-3-9-26-16-8-7-12(21)10-14(16)18(25)23-20(27)24-19-15(11-22)13-5-4-6-17(13)28-19/h7-8,10H,2-6,9H2,1H3,(H2,23,24,25,27)