3-phenyl-3-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-phenyl-3-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-phenyl-3-(phenylcarbamothioylamino)propanoic acid CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-phenyl-3-(phenylthiocarbamoylamino)propionic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c19-15(20)11-14(12-7-3-1-4-8-12)18-16(21)17-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,20)(H2,17,18,21)