3-[(4-tert-butylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-tert-butylphenyl)thiocarbamoylamino]propionic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-14(2,3)10-4-6-11(7-5-10)16-13(19)15-9-8-12(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19)