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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN2O2S/c22-16-4-3-5-17(14-16)26-13-10-20(25)24-11-8-15(9-12-24)21-23-18-6-1-2-7-19(18)27-21/h1-7,14-15H,8-13H2