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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C23H27BrN4O3S MolecularWeight: 519.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H27BrN4O3S/c1-15(2)22(30)28-12-10-27(11-13-28)19-7-5-4-6-18(19)25-23(32)26-21(29)17-14-16(24)8-9-20(17)31-3/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29,32)