6-chloranyl-2-(cyclohexylmethylsulfanyl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-(cyclohexylmethylsulfanyl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 6-chloro-2-(cyclohexylmethylsulfanyl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 6-chloro-2-(cyclohexylmethylthio)-5-[4-(cyclopropylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 6-chloro-2-(cyclohexylmethylsulfanyl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1H-benzimidazole Traditional Name: 6-chloro-2-(cyclohexylmethylthio)-5-[4-(cyclopropylmethyl)piperazino]-1H-benzimidazole Formula: C22H31ClN4S MolecularWeight: 419.02634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CC5CC5

Isomeric SMILES

C1CCC(CC1)CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CC5CC5

InChI

InChI=1S/C22H31ClN4S/c23-18-12-19-20(25-22(24-19)28-15-17-4-2-1-3-5-17)13-21(18)27-10-8-26(9-11-27)14-16-6-7-16/h12-13,16-17H,1-11,14-15H2,(H,24,25)