3-[(3-methylphenyl)carbamothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[(3-methylphenyl)carbamothioylamino]-3-phenyl-propanoic acid Openeye Name: 3-(m-tolylcarbamothioylamino)-3-phenyl-propanoic acid CAS Name: 3-[[(3-methylanilino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(3-methylphenyl)carbamothioylamino]-3-phenylpropanoic acid Traditional Name: 3-(m-tolylthiocarbamoylamino)-3-phenyl-propionic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-12-6-5-9-14(10-12)18-17(22)19-15(11-16(20)21)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22)