3-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamothioylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-(4-chlorophenyl)propanoic acid IUPAC Name: 3-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-3-[(4-chlorophenyl)thiocarbamoylamino]propionic acid Formula: C16H14Cl2N2O2S MolecularWeight: 369.26556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)NC(=S)NC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2N2O2S/c17-11-3-1-10(2-4-11)14(9-15(21)22)20-16(23)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,21,22)(H2,19,20,23)