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

Systemtic Name: N5-methyl-N2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Openeye Name: N5-methyl-N2-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine CAS Name: N5-methyl-N2-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine IUPAC Name: 5-N-methyl-2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Traditional Name: methyl-[5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,3,4-thiadiazol-2-yl]amine Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CNC1=NN=C(S1)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C18H27N5OS/c1-19-17-21-22-18(25-17)20-9-6-12-24-16-8-5-7-15(13-16)14-23-10-3-2-4-11-23/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,19,21)(H,20,22)