N-(1-adamantyl)-4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carbothioamide Formula: C27H39N3OS2 MolecularWeight: 485.74806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4)C(=O)CC6=CC=CS6

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4)C(=O)CC6=CC=CS6

InChI

InChI=1S/C27H39N3OS2/c31-25(15-24-2-1-11-33-24)29-7-3-22(4-8-29)23-5-9-30(10-6-23)26(32)28-27-16-19-12-20(17-27)14-21(13-19)18-27/h1-2,11,19-23H,3-10,12-18H2,(H,28,32)