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

Systemtic Name: 5-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O2S2/c25-16-9-10-20(30-12-11-15-5-2-1-3-6-15)18(13-16)22(29)27-24(31)28-23-19(14-26)17-7-4-8-21(17)32-23/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H2,27,28,29,31)