2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-methoxybenzoyl)carbamothioylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-methoxybenzoyl)carbamothioylamino]-3-phenylpropanoic acid Traditional Name: 2-(p-anisoylthiocarbamoylamino)-3-phenyl-propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-24-14-9-7-13(8-10-14)16(21)20-18(25)19-15(17(22)23)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,22,23)(H2,19,20,21,25)