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

Systemtic Name: ethyl 4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexanecarboxylate CAS Name: 4-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]cyclohexane-1-carboxylate Traditional Name: 4-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]cyclohexanecarboxylic acid ethyl ester Formula: C20H27ClN4O2S MolecularWeight: 422.97198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/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)