1-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one dihydrochloride

Systemtic Name: 1-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one dihydrochloride Openeye Name: 1-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one dihydrochloride CAS Name: 1-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-3,3-dimethyl-2-butanone dihydrochloride IUPAC Name: 1-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one dihydrochloride Traditional Name: 1-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one dihydrochloride Formula: C17H25Cl3N4OS MolecularWeight: 439.8306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C17H23ClN4OS.2ClH/c1-17(2,3)15(23)10-24-16-20-12-8-11(18)14(9-13(12)21-16)22-6-4-19-5-7-22;;/h8-9,19H,4-7,10H2,1-3H3,(H,20,21);2*1H