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

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

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