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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-2-5-22(29)28-14-12-27(13-15-28)19-10-8-18(9-11-19)25-24(32)26-23(30)21-16-17-6-3-4-7-20(17)31-21/h3-4,6-11,16H,2,5,12-15H2,1H3,(H2,25,26,30,32)