3-[4-[1-(2-phenylethanethioylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(2-phenylethanethioylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[(2-phenylethanethioyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[1-[(2-phenyl-1-sulfanylideneethyl)amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[(2-phenylethanethioyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[(2-phenylthioacetyl)amino]ethyl]phenyl]propionic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2S/c1-14(20-18(23)13-16-5-3-2-4-6-16)17-10-7-15(8-11-17)9-12-19(21)22/h2-8,10-11,14H,9,12-13H2,1H3,(H,20,23)(H,21,22)