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

Systemtic Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C21H23N3O2S2/c1-2-3-4-12-26-15-10-8-14(9-11-15)19(25)23-21(27)24-20-17(13-22)16-6-5-7-18(16)28-20/h8-11H,2-7,12H2,1H3,(H2,23,24,25,27)