3-phenyl-2-(phenylcarbonylcarbamothioylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(phenylcarbonylcarbamothioylamino)propanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-3-phenyl-propanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-3-phenylpropanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-3-phenyl-propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c20-15(13-9-5-2-6-10-13)19-17(23)18-14(16(21)22)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,21,22)(H2,18,19,20,23)