methyl N-(phenylsulfanylcarbamoyl)-N-(prop-2-enylcarbamoyl)carbamimidate

Systemtic Name: methyl N-(phenylsulfanylcarbamoyl)-N-(prop-2-enylcarbamoyl)carbamimidate Openeye Name: 1-(allylcarbamoyl)-1-(methoxycarbonimidoyl)-3-phenylsulfanyl-urea CAS Name: N-[oxo-[(phenylthio)amino]methyl]-N-[oxo-(prop-2-enylamino)methyl]carbamimidic acid methyl ester IUPAC Name: methyl N-(phenylsulfanylcarbamoyl)-N-(prop-2-enylcarbamoyl)carbamimidate Traditional Name: 1-(allylcarbamoyl)-1-(methoxycarbonimidoyl)-3-(phenylthio)urea Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=N)N(C(=O)NCC=C)C(=O)NSC1=CC=CC=C1

Isomeric SMILES

COC(=N)N(C(=O)NCC=C)C(=O)NSC1=CC=CC=C1

InChI

InChI=1S/C13H16N4O3S/c1-3-9-15-12(18)17(11(14)20-2)13(19)16-21-10-7-5-4-6-8-10/h3-8,14H,1,9H2,2H3,(H,15,18)(H,16,19)