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

Systemtic Name: 4-bromanyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H24BrClN4O2S MolecularWeight: 523.87356

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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=CC=C(C=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrClN4O2S/c1-14(2)21(30)28-11-9-27(10-12-28)19-8-7-17(13-18(19)24)25-22(31)26-20(29)15-3-5-16(23)6-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,29,31)