5-cyano-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-cyano-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-cyano-N-[(4-pentylphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-cyano-N-[(4-pentylanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-cyano-N-[(4-pentylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-5-cyano-coumarilamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-2-3-4-5-15-6-9-18(10-7-15)24-22(28)25-21(26)20-13-17-12-16(14-23)8-11-19(17)27-20/h6-13H,2-5H2,1H3,(H2,24,25,26,28)