1-[3-hexyl-1-oxidanylidene-4-(2-pyridin-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine

Systemtic Name: 1-[3-hexyl-1-oxidanylidene-4-(2-pyridin-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine Openeye Name: 1-[3-hexyl-1-oxo-4-[2-(2-pyridyl)ethoxy]-2H-1,3-benzothiazol-2-yl]ethanamine CAS Name: 1-[3-hexyl-1-oxo-4-[2-(2-pyridinyl)ethoxy]-2H-1,3-benzothiazol-2-yl]ethanamine IUPAC Name: 1-[3-hexyl-1-oxo-4-(2-pyridin-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine Traditional Name: 1-[3-hexyl-1-keto-4-[2-(2-pyridyl)ethoxy]-2H-1,3-benzothiazol-2-yl]ethylamine Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(S(=O)C2=CC=CC(=C21)OCCC3=CC=CC=N3)C(C)N

Isomeric SMILES

CCCCCCN1C(S(=O)C2=CC=CC(=C21)OCCC3=CC=CC=N3)C(C)N

InChI

InChI=1S/C22H31N3O2S/c1-3-4-5-8-15-25-21-19(27-16-13-18-10-6-7-14-24-18)11-9-12-20(21)28(26)22(25)17(2)23/h6-7,9-12,14,17,22H,3-5,8,13,15-16,23H2,1-2H3