3-[(Z)-N-(aminocarbonylamino)-C-(3-cyanopropanoyl)carbonimidoyl]sulfanylpropanoic acid

Systemtic Name: 3-[(Z)-N-(aminocarbonylamino)-C-(3-cyanopropanoyl)carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[(Z)-C-(3-cyanopropanoyl)-N-ureido-carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[(1Z)-1-(carbamoylhydrazinylidene)-4-cyano-2-oxobutyl]thio]propanoic acid IUPAC Name: 3-[(Z)-N-(carbamoylamino)-C-(3-cyanopropanoyl)carbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[(Z)-C-(3-cyanopropanoyl)-N-ureido-carbonimidoyl]thio]propionic acid Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)C(=NNC(=O)N)SCCC(=O)O)C#N

Isomeric SMILES

C(CC(=O)/C(=N/NC(=O)N)/SCCC(=O)O)C#N

InChI

InChI=1S/C9H12N4O4S/c10-4-1-2-6(14)8(12-13-9(11)17)18-5-3-7(15)16/h1-3,5H2,(H,15,16)(H3,11,13,17)/b12-8-