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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C23H26Cl2N4O2S MolecularWeight: 493.44914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N4O2S/c1-14(2)22(31)29-10-8-28(9-11-29)20-7-5-16(13-19(20)25)26-23(32)27-21(30)17-6-4-15(3)12-18(17)24/h4-7,12-14H,8-11H2,1-3H3,(H2,26,27,30,32)