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

Systemtic Name: N2-phenylsulfanyl-N5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Openeye Name: N2-phenylsulfanyl-N5-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine CAS Name: N-[5-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1,3,4-thiadiazol-2-yl]benzenesulfenamide IUPAC Name: 2-N-phenylsulfanyl-5-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Traditional Name: (phenylthio)-[5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,3,4-thiadiazol-2-yl]amine Formula: C23H29N5OS2 MolecularWeight: 455.63926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NSC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NSC4=CC=CC=C4

InChI

InChI=1S/C23H29N5OS2/c1-3-11-21(12-4-1)31-27-23-26-25-22(30-23)24-13-8-16-29-20-10-7-9-19(17-20)18-28-14-5-2-6-15-28/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,24,25)(H,26,27)