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

Systemtic Name: 3-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)Br

InChI

InChI=1S/C18H16BrN3O2S2/c1-2-24-14-7-6-10(8-13(14)19)16(23)21-18(25)22-17-12(9-20)11-4-3-5-15(11)26-17/h6-8H,2-5H2,1H3,(H2,21,22,23,25)