3-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]propionic acid Formula: C22H18N2O2S2 MolecularWeight: 406.52052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)O

InChI

InChI=1S/C22H18N2O2S2/c25-21(26)13-14-27-22-23-19-12-11-18(15-20(19)28-22)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,25,26)