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4-methylsulfanyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid

4-methylsulfanyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid

Systemtic Name:4-methylsulfanyl-2-(phenylcarbonylcarbamothioylamino)butanoic acid
Openeye Name:2-(benzoylcarbamothioylamino)-4-methylsulfanyl-butanoic acid
CAS Name:2-[[benzamido(sulfanylidene)methyl]amino]-4-(methylthio)butanoic acid
IUPAC Name:2-(benzoylcarbamothioylamino)-4-methylsulfanylbutanoic acid
Traditional Name:2-(benzoylthiocarbamoylamino)-4-(methylthio)butyric acid
Formula: C13H16N2O3S2
MolecularWeight: 312.40774
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16N2O3S2/c1-20-8-7-10(12(17)18)14-13(19)15-11(16)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)


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