N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C22H24BrN3OS/c1-14-9-15(2)20-19(10-14)28-22(25-20)26-8-4-6-17(13-26)21(27)24-12-16-5-3-7-18(23)11-16/h3,5,7,9-11,17H,4,6,8,12-13H2,1-2H3,(H,24,27)