5-azanyl-3-morpholin-4-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-morpholin-4-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-morpholino-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-morpholinyl)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-morpholin-4-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-morpholino-N-[3-[3-(piperidinomethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Formula: C22H33N7O2S MolecularWeight: 459.60812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)N4CCOCC4)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)N4CCOCC4)N

InChI

InChI=1S/C22H33N7O2S/c23-20-25-21(28-11-14-30-15-12-28)26-29(20)22(32)24-8-5-13-31-19-7-4-6-18(16-19)17-27-9-2-1-3-10-27/h4,6-7,16H,1-3,5,8-15,17H2,(H,24,32)(H2,23,25,26)