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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NN=C(S1)N)COC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CC(CNC1=NN=C(S1)N)COC2=CC=CC(=C2)CN3CCCCC3

InChI

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