1-[phenethyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[phenethyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[phenethyl-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[phenethyl-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[phenethyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[phenethyl-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C28H40N4O2S MolecularWeight: 496.7078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C28H40N4O2S/c1-2-16-32(27(29)33)28(35)31(20-15-24-11-5-3-6-12-24)19-10-21-34-26-14-9-13-25(22-26)23-30-17-7-4-8-18-30/h3,5-6,9,11-14,22H,2,4,7-8,10,15-21,23H2,1H3,(H2,29,33)