2-ethyl-4-hexyl-5-[2-(4-nitrophenyl)ethoxy]-1-oxidanylidene-2H-1,3-benzothiazol-3-amine

Systemtic Name: 2-ethyl-4-hexyl-5-[2-(4-nitrophenyl)ethoxy]-1-oxidanylidene-2H-1,3-benzothiazol-3-amine Openeye Name: 2-ethyl-4-hexyl-5-[2-(4-nitrophenyl)ethoxy]-1-oxo-2H-1,3-benzothiazol-3-amine CAS Name: 2-ethyl-4-hexyl-5-[2-(4-nitrophenyl)ethoxy]-1-oxo-2H-1,3-benzothiazol-3-amine IUPAC Name: 2-ethyl-4-hexyl-5-[2-(4-nitrophenyl)ethoxy]-1-oxo-2H-1,3-benzothiazol-3-amine Traditional Name: [2-ethyl-4-hexyl-1-keto-5-[2-(4-nitrophenyl)ethoxy]-2H-1,3-benzothiazol-3-yl]amine Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC2=C1N(C(S2=O)CC)N)OCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=CC2=C1N(C(S2=O)CC)N)OCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O4S/c1-3-5-6-7-8-19-20(13-14-21-23(19)25(24)22(4-2)31(21)29)30-16-15-17-9-11-18(12-10-17)26(27)28/h9-14,22H,3-8,15-16,24H2,1-2H3