3-[4-[2-[(2-methylphenyl)carbothioylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(2-methylphenyl)carbothioylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(2-methylbenzenecarbothioyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(2-methylphenyl)-sulfanylidenemethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(2-methylbenzenecarbothioyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(2-methylthiobenzoyl)amino]ethyl]phenyl]propionic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=S)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

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