3-phenyl-2-[(phenylmethyl)amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-phenyl-2-[(phenylmethyl)amino]-3-sulfanylidene-propanoic acid Openeye Name: 2-(benzylamino)-3-phenyl-3-thioxo-propanoic acid CAS Name: 3-phenyl-2-[(phenylmethyl)amino]-3-sulfanylidenepropanoic acid IUPAC Name: 2-(benzylamino)-3-phenyl-3-sulfanylidenepropanoic acid Traditional Name: 2-(benzylamino)-3-phenyl-3-thioxo-propionic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S/c18-16(19)14(15(20)13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,14,17H,11H2,(H,18,19)