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3-(phenylcarbonylcarbamothioylamino)propanoic acid

3-(phenylcarbonylcarbamothioylamino)propanoic acid

Systemtic Name:3-(phenylcarbonylcarbamothioylamino)propanoic acid
Openeye Name:3-(benzoylcarbamothioylamino)propanoic acid
CAS Name:3-[[benzamido(sulfanylidene)methyl]amino]propanoic acid
IUPAC Name:3-(benzoylcarbamothioylamino)propanoic acid
Traditional Name:3-(benzoylthiocarbamoylamino)propionic acid
Formula: C11H12N2O3S
MolecularWeight: 252.28958
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NCCC(=O)O


InChI

InChI=1S/C11H12N2O3S/c14-9(15)6-7-12-11(17)13-10(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)(H2,12,13,16,17)


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