3-(4-chlorophenyl)-3-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-3-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-(4-chlorophenyl)-3-(phenylcarbamothioylamino)propanoic acid CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-3-(4-chlorophenyl)propanoic acid IUPAC Name: 3-(4-chlorophenyl)-3-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(4-chlorophenyl)-3-(phenylthiocarbamoylamino)propionic acid Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O2S/c17-12-8-6-11(7-9-12)14(10-15(20)21)19-16(22)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)