ethyl 4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: ethyl 4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexane-1-carboxylate dihydrochloride Openeye Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-1-cyclohexanecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]cyclohexanecarboxylic acid ethyl ester dihydrochloride Formula: C20H29Cl3N4O2S MolecularWeight: 495.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

CCOC(=O)C1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C20H27ClN4O2S.2ClH/c1-2-27-19(26)13-3-5-14(6-4-13)28-20-23-16-11-15(21)18(12-17(16)24-20)25-9-7-22-8-10-25;;/h11-14,22H,2-10H2,1H3,(H,23,24);2*1H