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

Systemtic Name: ethyl 4-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]piperidine-1-carboxylate Traditional Name: 4-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]piperidine-1-carboxylic acid ethyl ester Formula: C19H26ClN5O2S MolecularWeight: 423.96004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4

InChI

InChI=1S/C19H26ClN5O2S/c1-2-27-19(26)25-7-3-13(4-8-25)28-18-22-15-11-14(20)17(12-16(15)23-18)24-9-5-21-6-10-24/h11-13,21H,2-10H2,1H3,(H,22,23)