2-[(2-bromophenyl)-methanethioyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-bromophenyl)-methanethioyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-(2-bromo-N-methanethioyl-anilino)-3-phenyl-propanoic acid CAS Name: 2-(2-bromo-N-methanethioylanilino)-3-phenylpropanoic acid IUPAC Name: 2-(2-bromo-N-methanethioylanilino)-3-phenylpropanoic acid Traditional Name: 2-(2-bromo-N-thioformyl-anilino)-3-phenyl-propionic acid Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C=S)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C=S)C2=CC=CC=C2Br

InChI

InChI=1S/C16H14BrNO2S/c17-13-8-4-5-9-14(13)18(11-21)15(16(19)20)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,19,20)