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

Systemtic Name: N5-butyl-N2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Openeye Name: N5-butyl-N2-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine CAS Name: N5-butyl-N2-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine IUPAC Name: 5-N-butyl-2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Traditional Name: butyl-[5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,3,4-thiadiazol-2-yl]amine Formula: C21H33N5OS MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CCCCNC1=NN=C(S1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C21H33N5OS/c1-2-3-11-22-20-24-25-21(28-20)23-12-8-15-27-19-10-7-9-18(16-19)17-26-13-5-4-6-14-26/h7,9-10,16H,2-6,8,11-15,17H2,1H3,(H,22,24)(H,23,25)