2-chloranyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 2-chloranyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H24Cl2N4O2S MolecularWeight: 479.42256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl

InChI

InChI=1S/C22H24Cl2N4O2S/c1-3-20(29)28-10-8-27(9-11-28)19-7-5-15(23)13-18(19)25-22(31)26-21(30)16-6-4-14(2)12-17(16)24/h4-7,12-13H,3,8-11H2,1-2H3,(H2,25,26,30,31)