N-[(4-hex-1-ynylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[(4-hex-1-ynylanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-hex-1-ynylphenyl)thiocarbamoyl]coumarilamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C22H20N2O2S/c1-2-3-4-5-8-16-11-13-18(14-12-16)23-22(27)24-21(25)20-15-17-9-6-7-10-19(17)26-20/h6-7,9-15H,2-4H2,1H3,(H2,23,24,25,27)