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

Systemtic Name: 1-[phenyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[phenyl-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[phenyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[phenyl-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O2S/c1-2-15-30(25(27)31)26(33)29(23-12-5-3-6-13-23)18-10-19-32-24-14-9-11-22(20-24)21-28-16-7-4-8-17-28/h3,5-6,9,11-14,20H,2,4,7-8,10,15-19,21H2,1H3,(H2,27,31)