3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentane-2,4-dione dihydrochloride

Systemtic Name: 3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentane-2,4-dione dihydrochloride Openeye Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentane-2,4-dione dihydrochloride CAS Name: 3-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]pentane-2,4-dione dihydrochloride IUPAC Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]pentane-2,4-dione dihydrochloride Traditional Name: 3-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]pentane-2,4-dione dihydrochloride Formula: C16H21Cl3N4O2S MolecularWeight: 439.78754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C16H19ClN4O2S.2ClH/c1-9(22)15(10(2)23)24-16-19-12-7-11(17)14(8-13(12)20-16)21-5-3-18-4-6-21;;/h7-8,15,18H,3-6H2,1-2H3,(H,19,20);2*1H