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

Systemtic Name: 3-[(4-pentoxyphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-pentoxyphenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-pentoxyanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-pentoxyphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-amoxyphenyl)thiocarbamoylamino]propionic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NCCC(=O)O

InChI

InChI=1S/C15H22N2O3S/c1-2-3-4-11-20-13-7-5-12(6-8-13)17-15(21)16-10-9-14(18)19/h5-8H,2-4,9-11H2,1H3,(H,18,19)(H2,16,17,21)