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

Systemtic Name: 1-[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[methyl-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[methyl-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[methyl-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C21H34N4O2S MolecularWeight: 406.58526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2S/c1-3-11-25(20(22)26)21(28)23(2)12-8-15-27-19-10-7-9-18(16-19)17-24-13-5-4-6-14-24/h7,9-10,16H,3-6,8,11-15,17H2,1-2H3,(H2,22,26)