3-[[4-[(4-chlorophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-[(4-chlorophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(4-chloroanilino)phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[4-(4-chloroanilino)anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(4-chloroanilino)phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-(4-chloroanilino)phenyl]thiocarbamoylthio]propionic acid Formula: C16H15ClN2O2S2 MolecularWeight: 366.8855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C=C2)Cl)NC(=S)SCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)Cl)NC(=S)SCCC(=O)O

InChI

InChI=1S/C16H15ClN2O2S2/c17-11-1-3-12(4-2-11)18-13-5-7-14(8-6-13)19-16(22)23-10-9-15(20)21/h1-8,18H,9-10H2,(H,19,22)(H,20,21)