1-[(5-fluoranyl-2-methyl-phenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]aziridine-2-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-methyl-phenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]aziridine-2-carboxamide Openeye Name: 1-[(5-fluoro-2-methyl-phenyl)methyl]-N-[2-(2-furylmethylsulfanyl)ethyl]aziridine-2-carboxamide CAS Name: 1-[(5-fluoro-2-methylphenyl)methyl]-N-[2-(2-furanylmethylthio)ethyl]-2-aziridinecarboxamide IUPAC Name: 1-[(5-fluoro-2-methylphenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]aziridine-2-carboxamide Traditional Name: 1-(5-fluoro-2-methyl-benzyl)-N-[2-(2-furfurylthio)ethyl]ethylenimine-2-carboxamide Formula: C18H21FN2O2S MolecularWeight: 348.434943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C18H21FN2O2S/c1-13-4-5-15(19)9-14(13)10-21-11-17(21)18(22)20-6-8-24-12-16-3-2-7-23-16/h2-5,7,9,17H,6,8,10-12H2,1H3,(H,20,22)