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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H28BrClN4O3S MolecularWeight: 567.92612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl)OC

InChI

InChI=1S/C24H28BrClN4O3S/c1-14(2)23(32)30-9-7-29(8-10-30)20-6-5-17(13-19(20)26)27-24(34)28-22(31)18-12-16(25)11-15(3)21(18)33-4/h5-6,11-14H,7-10H2,1-4H3,(H2,27,28,31,34)