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

Systemtic Name: 4-[(2,6-diethylphenyl)carbamothioylamino]butanoic acid Openeye Name: 4-[(2,6-diethylphenyl)carbamothioylamino]butanoic acid CAS Name: 4-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(2,6-diethylphenyl)carbamothioylamino]butanoic acid Traditional Name: 4-[(2,6-diethylphenyl)thiocarbamoylamino]butyric acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCCCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NCCCC(=O)O

InChI

InChI=1S/C15H22N2O2S/c1-3-11-7-5-8-12(4-2)14(11)17-15(20)16-10-6-9-13(18)19/h5,7-8H,3-4,6,9-10H2,1-2H3,(H,18,19)(H2,16,17,20)