3-[(4-propan-2-ylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-propan-2-ylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-isopropylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-(p-cumenylthiocarbamoylamino)propionic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-9(2)10-3-5-11(6-4-10)15-13(18)14-8-7-12(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)