4-[(2,6-dimethylphenyl)carbamothioylamino]butanoate

Systemtic Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoate Openeye Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]butanoate IUPAC Name: 4-[(2,6-dimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,6-dimethylphenyl)thiocarbamoylamino]butyrate Formula: C13H17N2O2S- MolecularWeight: 265.35128

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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)/p-1