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

Systemtic Name: 4-bromanyl-N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H26BrClN4O2S MolecularWeight: 537.90014

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26BrClN4O2S/c1-23(2,3)21(31)29-12-10-28(11-13-29)19-9-8-17(14-18(19)25)26-22(32)27-20(30)15-4-6-16(24)7-5-15/h4-9,14H,10-13H2,1-3H3,(H2,26,27,30,32)