methyl N-cyano-N-[2-oxidanyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N-[2-oxidanyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidothioate Openeye Name: 1-cyano-1-[2-hydroxy-3-[3-(1-piperidylmethyl)phenoxy]propyl]-2-methyl-isothiourea CAS Name: N-cyano-N-[2-hydroxy-3-[3-(1-piperidinylmethyl)phenoxy]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N-[2-hydroxy-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidothioate Traditional Name: 1-cyano-1-[2-hydroxy-3-[3-(piperidinomethyl)phenoxy]propyl]-2-methyl-isothiourea Formula: C18H26N4O2S MolecularWeight: 362.48964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N(CC(COC1=CC=CC(=C1)CN2CCCCC2)O)C#N

Isomeric SMILES

CSC(=N)N(CC(COC1=CC=CC(=C1)CN2CCCCC2)O)C#N

InChI

InChI=1S/C18H26N4O2S/c1-25-18(20)22(14-19)12-16(23)13-24-17-7-5-6-15(10-17)11-21-8-3-2-4-9-21/h5-7,10,16,20,23H,2-4,8-9,11-13H2,1H3