[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-2,5-dimethoxy-phenyl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-2,5-dimethoxy-phenyl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-bromo-2,5-dimethoxy-phenyl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-bromo-2,5-dimethoxyphenyl)methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromo-2,5-dimethoxyphenyl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-(3-bromo-2,5-dimethoxy-phenyl)methanone Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-26-14-10-15(19(27-2)16(22)11-14)21(25)24-9-5-6-13(12-24)20-23-17-7-3-4-8-18(17)28-20/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3