5-cyano-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-cyano-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-cyano-N-[[2-(1-methylbutyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-cyano-N-[(2-pentan-2-ylanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-cyano-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 5-cyano-N-[[2-(1-methylbutyl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

Isomeric SMILES

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O2S/c1-3-6-14(2)17-7-4-5-8-18(17)24-22(28)25-21(26)20-12-16-11-15(13-23)9-10-19(16)27-20/h4-5,7-12,14H,3,6H2,1-2H3,(H2,24,25,26,28)