1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-2-ol

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-2-ol Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidyl]-3-(4-chlorophenyl)sulfanyl-propan-2-ol CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidinyl]-3-[(4-chlorophenyl)thio]-2-propanol IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-2-ol Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidino]-3-[(4-chlorophenyl)thio]propan-2-ol Formula: C22H26ClN3OS2 MolecularWeight: 448.04434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)CC(CSC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)CC(CSC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H26ClN3OS2/c23-16-5-7-19(8-6-16)28-15-18(27)14-26-11-9-17(10-12-26)24-13-22-25-20-3-1-2-4-21(20)29-22/h1-8,17-18,24,27H,9-15H2