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4-[(phenylmethylsulfanyl)carbothioylamino]butanoic acid

4-[(phenylmethylsulfanyl)carbothioylamino]butanoic acid

Systemtic Name:4-[(phenylmethylsulfanyl)carbothioylamino]butanoic acid
Openeye Name:4-(benzylsulfanylcarbothioylamino)butanoic acid
CAS Name:4-[[(phenylmethylthio)-sulfanylidenemethyl]amino]butanoic acid
IUPAC Name:4-(benzylsulfanylcarbothioylamino)butanoic acid
Traditional Name:4-[(benzylthio)carbothioylamino]butyric acid
Formula: C12H15NO2S2
MolecularWeight: 269.383
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NCCCC(=O)O


InChI

InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)


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