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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H24Cl2N4OS MolecularWeight: 451.41246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4OS/c1-3-26-8-10-27(11-9-26)19-7-5-15(13-18(19)23)24-21(29)25-20(28)16-6-4-14(2)12-17(16)22/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,28,29)