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

Systemtic Name: 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl-pyridin-3-yl-carbamothioyl]-1-propyl-urea Openeye Name: 1-[3-[3-(1-piperidylmethyl)phenoxy]propyl-(3-pyridyl)carbamothioyl]-1-propyl-urea CAS Name: 1-[[3-[3-(1-piperidinylmethyl)phenoxy]propyl-(3-pyridinyl)amino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl-pyridin-3-ylcarbamothioyl]-1-propylurea Traditional Name: 1-[3-[3-(piperidinomethyl)phenoxy]propyl-(3-pyridyl)thiocarbamoyl]-1-propyl-urea Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O2S/c1-2-13-30(24(26)31)25(33)29(22-10-7-12-27-19-22)16-8-17-32-23-11-6-9-21(18-23)20-28-14-4-3-5-15-28/h6-7,9-12,18-19H,2-5,8,13-17,20H2,1H3,(H2,26,31)