N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(1-piperidylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(1-piperidinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(piperidinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]acetamide Formula: C26H29ClF3N5OS MolecularWeight: 552.05457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCCCC5

Isomeric SMILES

CN(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C2=C3C4=C(CCCC4)SC3=NC(=N2)CN5CCCCC5

InChI

InChI=1S/C26H29ClF3N5OS/c1-34(15-22(36)31-16-9-10-19(27)18(13-16)26(28,29)30)24-23-17-7-3-4-8-20(17)37-25(23)33-21(32-24)14-35-11-5-2-6-12-35/h9-10,13H,2-8,11-12,14-15H2,1H3,(H,31,36)