2-[[4-(4-fluorophenyl)-1-pentyl-piperidin-3-yl]methylsulfanyl]-1,3-benzothiazole hydrochloride

Systemtic Name: 2-[[4-(4-fluorophenyl)-1-pentyl-piperidin-3-yl]methylsulfanyl]-1,3-benzothiazole hydrochloride Openeye Name: 2-[[4-(4-fluorophenyl)-1-pentyl-3-piperidyl]methylsulfanyl]-1,3-benzothiazole hydrochloride CAS Name: 2-[[4-(4-fluorophenyl)-1-pentyl-3-piperidinyl]methylthio]-1,3-benzothiazole hydrochloride IUPAC Name: 2-[[4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methylsulfanyl]-1,3-benzothiazole hydrochloride Traditional Name: 2-[[1-amyl-4-(4-fluorophenyl)-3-piperidyl]methylthio]-1,3-benzothiazole hydrochloride Formula: C24H30ClFN2S2 MolecularWeight: 465.089803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

CCCCCN1CCC(C(C1)CSC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C24H29FN2S2.ClH/c1-2-3-6-14-27-15-13-21(18-9-11-20(25)12-10-18)19(16-27)17-28-24-26-22-7-4-5-8-23(22)29-24;/h4-5,7-12,19,21H,2-3,6,13-17H2,1H3;1H