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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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