pentyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate

Systemtic Name: pentyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate Openeye Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-pentyl-isourea CAS Name: N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidic acid pentyl ester IUPAC Name: pentyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate Traditional Name: 2-amyl-1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isourea Formula: C14H23N5OS MolecularWeight: 309.43032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=NCCSCC1=C(NC=N1)C)NC#N

Isomeric SMILES

CCCCCOC(=NCCSCC1=C(NC=N1)C)NC#N

InChI

InChI=1S/C14H23N5OS/c1-3-4-5-7-20-14(17-10-15)16-6-8-21-9-13-12(2)18-11-19-13/h11H,3-9H2,1-2H3,(H,16,17)(H,18,19)