3,3-dimethyl-1-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one dihydrochloride

Systemtic Name: 3,3-dimethyl-1-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one dihydrochloride Openeye Name: 3,3-dimethyl-1-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one dihydrochloride CAS Name: 3,3-dimethyl-1-[[6-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-2-butanone dihydrochloride IUPAC Name: 3,3-dimethyl-1-[(6-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butan-2-one dihydrochloride Traditional Name: 3,3-dimethyl-1-[(6-piperazino-1H-benzimidazol-2-yl)thio]butan-2-one dihydrochloride Formula: C17H26Cl2N4OS MolecularWeight: 405.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(N1)C=C(C=C2)N3CCNCC3.Cl.Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(N1)C=C(C=C2)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C17H24N4OS.2ClH/c1-17(2,3)15(22)11-23-16-19-13-5-4-12(10-14(13)20-16)21-8-6-18-7-9-21;;/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,20);2*1H