3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(phenylthiocarbamoylamino)propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c19-13-8-6-11(7-9-13)10-14(15(20)21)18-16(22)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,20,21)(H2,17,18,22)