5-bromanyl-2-chloranyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H23BrCl2N4O2S MolecularWeight: 558.31862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)Cl

InChI

InChI=1S/C22H23BrCl2N4O2S/c1-13(2)21(31)29-9-7-28(8-10-29)19-6-4-15(12-18(19)25)26-22(32)27-20(30)16-11-14(23)3-5-17(16)24/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,30,32)