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

Systemtic Name: 5-azanyl-3-piperidin-1-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(1-piperidyl)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(1-piperidinyl)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-piperidin-1-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-piperidino-N-[3-[3-(piperidinomethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Formula: C23H35N7OS MolecularWeight: 457.6353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)N4CCCCC4)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)N4CCCCC4)N

InChI

InChI=1S/C23H35N7OS/c24-21-26-22(29-14-5-2-6-15-29)27-30(21)23(32)25-11-8-16-31-20-10-7-9-19(17-20)18-28-12-3-1-4-13-28/h7,9-10,17H,1-6,8,11-16,18H2,(H,25,32)(H2,24,26,27)