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

Systemtic Name: 3-[(4-propoxyphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-propoxyphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-propoxyanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-propoxyphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-propoxyphenyl)thiocarbamoylamino]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-2-9-18-11-5-3-10(4-6-11)15-13(19)14-8-7-12(16)17/h3-6H,2,7-9H2,1H3,(H,16,17)(H2,14,15,19)