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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide hydrochloride Openeye Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide hydrochloride CAS Name: 2-chloro-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide hydrochloride IUPAC Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methylbenzamide hydrochloride Traditional Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide hydrochloride Formula: C21H25Cl3N4OS MolecularWeight: 487.8734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=C(C=C3)C)Cl.Cl

InChI

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