2-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-1-(4-methoxyphenyl)ethanol

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-1-(4-methoxyphenyl)ethanol Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidyl]-1-(4-methoxyphenyl)ethanol CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidinyl]-1-(4-methoxyphenyl)ethanol IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-1-(4-methoxyphenyl)ethanol Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethylamino)piperidino]-1-(4-methoxyphenyl)ethanol Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN2CCC(CC2)NCC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CN2CCC(CC2)NCC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H27N3O2S/c1-27-18-8-6-16(7-9-18)20(26)15-25-12-10-17(11-13-25)23-14-22-24-19-4-2-3-5-21(19)28-22/h2-9,17,20,23,26H,10-15H2,1H3