3-[(4-butoxyphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-butoxyphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-butoxyphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-butoxyphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-butoxyphenyl)thiocarbamoylamino]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

InChI

InChI=1S/C14H20N2O3S/c1-2-3-10-19-12-6-4-11(5-7-12)16-14(20)15-9-8-13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H2,15,16,20)