4-[(2,6-dimethylphenyl)carbamothioylamino]butanoic acid

Systemtic Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoic acid Openeye Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoic acid CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoic acid Traditional Name: 4-[(2,6-dimethylphenyl)thiocarbamoylamino]butyric acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NCCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NCCCC(=O)O

InChI

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