methyl 3-[(E)-N-(aminocarbonylamino)-C-phenethyl-carbonimidoyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-N-(aminocarbonylamino)-C-phenethyl-carbonimidoyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-C-phenethyl-N-ureido-carbonimidoyl]sulfanylpropanoate CAS Name: 3-[[(1E)-1-(carbamoylhydrazinylidene)-3-phenylpropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-N-(carbamoylamino)-C-phenethylcarbonimidoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-C-phenethyl-N-ureido-carbonimidoyl]thio]propionic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=NNC(=O)N)CCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCS/C(=N/NC(=O)N)/CCC1=CC=CC=C1

InChI

InChI=1S/C14H19N3O3S/c1-20-13(18)9-10-21-12(16-17-14(15)19)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H3,15,17,19)/b16-12+