(2R)-3-phenyl-2-(prop-2-enylcarbamothioylamino)propanoate

Systemtic Name: (2R)-3-phenyl-2-(prop-2-enylcarbamothioylamino)propanoate Openeye Name: (2R)-2-(allylcarbamothioylamino)-3-phenyl-propanoate CAS Name: (2R)-3-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]propanoate IUPAC Name: (2R)-3-phenyl-2-(prop-2-enylcarbamothioylamino)propanoate Traditional Name: (2R)-2-(allylthiocarbamoylamino)-3-phenyl-propionate Formula: C13H15N2O2S- MolecularWeight: 263.3354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C=CCNC(=S)N[C@H](CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O2S/c1-2-8-14-13(18)15-11(12(16)17)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,16,17)(H2,14,15,18)/p-1/t11-/m1/s1