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

Systemtic Name: 3-[[4-[(4-cyanophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(4-cyanoanilino)phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[4-(4-cyanoanilino)anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(4-cyanoanilino)phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-(4-cyanoanilino)phenyl]thiocarbamoylthio]propionic acid Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)NC(=S)SCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)NC(=S)SCCC(=O)O

InChI

InChI=1S/C17H15N3O2S2/c18-11-12-1-3-13(4-2-12)19-14-5-7-15(8-6-14)20-17(23)24-10-9-16(21)22/h1-8,19H,9-10H2,(H,20,23)(H,21,22)