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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C28H28BrClN4O3S MolecularWeight: 615.96892

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28BrClN4O3S/c1-17-7-9-19(10-8-17)27(36)34-13-11-33(12-14-34)24-22(30)5-4-6-23(24)31-28(38)32-26(35)21-16-20(29)15-18(2)25(21)37-3/h4-10,15-16H,11-14H2,1-3H3,(H2,31,32,35,38)