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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C23H26BrClN4O3S MolecularWeight: 553.89954

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H26BrClN4O3S/c1-14(2)22(31)29-11-9-28(10-12-29)20-17(25)5-4-6-18(20)26-23(33)27-21(30)16-13-15(24)7-8-19(16)32-3/h4-8,13-14H,9-12H2,1-3H3,(H2,26,27,30,33)