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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C27H27BrN4O3S MolecularWeight: 567.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H27BrN4O3S/c1-18-16-20(28)17-21(24(18)35-2)25(33)30-27(36)29-22-10-6-7-11-23(22)31-12-14-32(15-13-31)26(34)19-8-4-3-5-9-19/h3-11,16-17H,12-15H2,1-2H3,(H2,29,30,33,36)