3-chloranyl-N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H28Cl2N4O2S MolecularWeight: 507.47572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28Cl2N4O2S/c1-15(2)12-22(31)30-10-8-29(9-11-30)21-7-6-18(14-20(21)26)27-24(33)28-23(32)17-5-4-16(3)19(25)13-17/h4-7,13-15H,8-12H2,1-3H3,(H2,27,28,32,33)