N5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-N2-pyridin-2-ylsulfanyl-1,3,4-thiadiazole-2,5-diamine

Systemtic Name: N5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-N2-pyridin-2-ylsulfanyl-1,3,4-thiadiazole-2,5-diamine Openeye Name: N5-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-N2-(2-pyridylsulfanyl)-1,3,4-thiadiazole-2,5-diamine CAS Name: N-[5-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1,3,4-thiadiazol-2-yl]-2-pyridinesulfenamide IUPAC Name: 5-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-2-N-pyridin-2-ylsulfanyl-1,3,4-thiadiazole-2,5-diamine Traditional Name: 3-[3-(piperidinomethyl)phenoxy]propyl-[5-[(2-pyridylthio)amino]-1,3,4-thiadiazol-2-yl]amine Formula: C22H28N6OS2 MolecularWeight: 456.62732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NSC4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NSC4=CC=CC=N4

InChI

InChI=1S/C22H28N6OS2/c1-4-13-28(14-5-1)17-18-8-6-9-19(16-18)29-15-7-12-24-21-25-26-22(30-21)27-31-20-10-2-3-11-23-20/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,24,25)(H,26,27)