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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-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=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

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