N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O3S/c1-15(27)25-10-12-26(13-11-25)18-8-6-17(7-9-18)23-22(30)24-21(28)20-14-16-4-2-3-5-19(16)29-20/h2-9,14H,10-13H2,1H3,(H2,23,24,28,30)