5-[bis(2-methylpropyl)amino]-2-[(5-isothiocyanato-1,3-thiazol-2-yl)diazenyl]benzoic acid

Systemtic Name: 5-[bis(2-methylpropyl)amino]-2-[(5-isothiocyanato-1,3-thiazol-2-yl)diazenyl]benzoic acid Openeye Name: 5-(diisobutylamino)-2-(5-isothiocyanatothiazol-2-yl)azo-benzoic acid CAS Name: 5-[bis(2-methylpropyl)amino]-2-[(5-isothiocyanato-2-thiazolyl)azo]benzoic acid IUPAC Name: 5-[bis(2-methylpropyl)amino]-2-[(5-isothiocyanato-1,3-thiazol-2-yl)diazenyl]benzoic acid Traditional Name: 5-(diisobutylamino)-2-(5-isothiocyanatothiazol-2-yl)azo-benzoic acid Formula: C19H23N5O2S2 MolecularWeight: 417.54822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=CC(=C(C=C1)N=NC2=NC=C(S2)N=C=S)C(=O)O

Isomeric SMILES

CC(C)CN(CC(C)C)C1=CC(=C(C=C1)N=NC2=NC=C(S2)N=C=S)C(=O)O

InChI

InChI=1S/C19H23N5O2S2/c1-12(2)9-24(10-13(3)4)14-5-6-16(15(7-14)18(25)26)22-23-19-20-8-17(28-19)21-11-27/h5-8,12-13H,9-10H2,1-4H3,(H,25,26)