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

Systemtic Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C22H25N3O2S2/c1-2-3-4-7-13-27-18-11-6-5-9-16(18)20(26)24-22(28)25-21-17(14-23)15-10-8-12-19(15)29-21/h5-6,9,11H,2-4,7-8,10,12-13H2,1H3,(H2,24,25,26,28)