(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-bromanylphenoxy)propan-1-one

Systemtic Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-bromanylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-bromophenoxy)propan-1-one CAS Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-bromophenoxy)propan-1-one Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-14(26-17-8-6-16(22)7-9-17)21(25)24-12-10-15(11-13-24)20-23-18-4-2-3-5-19(18)27-20/h2-9,14-15H,10-13H2,1H3/t14-/m0/s1