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

Systemtic Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N4O3S/c1-2-21(28)27-13-11-26(12-14-27)18-9-5-4-8-17(18)24-23(31)25-22(29)20-15-16-7-3-6-10-19(16)30-20/h3-10,15H,2,11-14H2,1H3,(H2,24,25,29,31)