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

Systemtic Name: N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c32-25(24-18-20-10-4-7-13-23(20)34-24)29-27(35)28-21-11-5-6-12-22(21)30-14-16-31(17-15-30)26(33)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H2,28,29,32,35)