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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H37N3O2S/c1-3-32-22-4-5-23-24(13-22)33-26(29-23)30-8-6-21(7-9-30)25(31)28-17(2)27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,17-21H,3,6-12,14-16H2,1-2H3,(H,28,31)