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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C24H36N4OS MolecularWeight: 428.63384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCCCCC4)C

InChI

InChI=1S/C24H36N4OS/c1-18-16-19(2)22-21(17-18)30-24(26-22)28-14-8-20(9-15-28)23(29)25-10-7-13-27-11-5-3-4-6-12-27/h16-17,20H,3-15H2,1-2H3,(H,25,29)