1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pentyl-urea

Systemtic Name: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pentyl-urea Openeye Name: 1-[2-(2-furylmethylsulfanyl)ethyl]-3-pentyl-urea CAS Name: 1-[2-(2-furanylmethylthio)ethyl]-3-pentylurea IUPAC Name: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-(2-furfurylthio)ethyl]urea Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NCCSCC1=CC=CO1

Isomeric SMILES

CCCCCNC(=O)NCCSCC1=CC=CO1

InChI

InChI=1S/C13H22N2O2S/c1-2-3-4-7-14-13(16)15-8-10-18-11-12-6-5-9-17-12/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,14,15,16)