N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]coumarilamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S/c1-2-5-22(30)29-12-10-28(11-13-29)19-9-8-17(15-18(19)25)26-24(33)27-23(31)21-14-16-6-3-4-7-20(16)32-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H2,26,27,31,33)