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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H37N3OS/c1-16-8-17(2)24-23(9-16)32-26(29-24)30-6-4-22(5-7-30)25(31)28-18(3)27-13-19-10-20(14-27)12-21(11-19)15-27/h8-9,18-22H,4-7,10-15H2,1-3H3,(H,28,31)