1-(2,4-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea Openeye Name: 1-(2,4-dimethylphenyl)-3-[3-(2-furylmethylsulfanyl)propyl]urea CAS Name: 1-(2,4-dimethylphenyl)-3-[3-(2-furanylmethylthio)propyl]urea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea Traditional Name: 1-(2,4-dimethylphenyl)-3-[3-(2-furfurylthio)propyl]urea Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NCCCSCC2=CC=CO2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NCCCSCC2=CC=CO2)C

InChI

InChI=1S/C17H22N2O2S/c1-13-6-7-16(14(2)11-13)19-17(20)18-8-4-10-22-12-15-5-3-9-21-15/h3,5-7,9,11H,4,8,10,12H2,1-2H3,(H2,18,19,20)