N4-methyl-N3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N4-methyl-N3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: N4-methyl-N3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine CAS Name: N4-methyl-N3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 4-N-methyl-3-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine Traditional Name: methyl-[4-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amine Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NSN=C1NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CNC1=NSN=C1NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C18H27N5OS/c1-19-17-18(22-25-21-17)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)