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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrClN4O3S/c1-15(2)12-22(31)30-10-8-29(9-11-30)20-6-5-17(26)14-19(20)27-24(34)28-23(32)16-4-7-21(33-3)18(25)13-16/h4-7,13-15H,8-12H2,1-3H3,(H2,27,28,32,34)