N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O2S/c1-14-9-15(2)21-20(10-14)30-23(26-21)27-8-4-5-16(13-27)22(28)25-12-17-11-18(24)6-7-19(17)29-3/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3,(H,25,28)