(2S)-2-azaniumyl-3-(3-phenylpropylcarbamothioylsulfanyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-phenylpropylcarbamothioylsulfanyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-phenylpropylcarbamothioylsulfanyl)propanoate CAS Name: (2S)-2-ammonio-3-[[(3-phenylpropylamino)-sulfanylidenemethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-phenylpropylcarbamothioylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-phenylpropylthiocarbamoylthio)propionate Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=S)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=S)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H18N2O2S2/c14-11(12(16)17)9-19-13(18)15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m1/s1