1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-bromanyl-4-methoxy-phenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-bromanyl-4-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(3-bromo-4-methoxy-phenyl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(3-bromo-4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-(3-bromo-4-methoxy-phenyl)propan-1-one Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H23BrN2O2S/c1-27-19-8-6-15(14-17(19)23)7-9-21(26)25-12-10-16(11-13-25)22-24-18-4-2-3-5-20(18)28-22/h2-6,8,14,16H,7,9-13H2,1H3