5-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[3-chloro-2-(4-tosylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C27H28BrClN4O4S2 MolecularWeight: 652.02262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C27H28BrClN4O4S2/c1-17-7-9-20(10-8-17)39(35,36)33-13-11-32(12-14-33)24-22(29)5-4-6-23(24)30-27(38)31-26(34)21-16-19(28)15-18(2)25(21)37-3/h4-10,15-16H,11-14H2,1-3H3,(H2,30,31,34,38)