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

Systemtic Name: 1-[3-hexyl-1-oxidanylidene-4-(2-thiophen-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine Openeye Name: 1-[3-hexyl-1-oxo-4-[2-(2-thienyl)ethoxy]-2H-1,3-benzothiazol-2-yl]ethanamine CAS Name: 1-[3-hexyl-1-oxo-4-(2-thiophen-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine IUPAC Name: 1-[3-hexyl-1-oxo-4-(2-thiophen-2-ylethoxy)-2H-1,3-benzothiazol-2-yl]ethanamine Traditional Name: 1-[3-hexyl-1-keto-4-[2-(2-thienyl)ethoxy]-2H-1,3-benzothiazol-2-yl]ethylamine Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(S(=O)C2=CC=CC(=C21)OCCC3=CC=CS3)C(C)N

Isomeric SMILES

CCCCCCN1C(S(=O)C2=CC=CC(=C21)OCCC3=CC=CS3)C(C)N

InChI

InChI=1S/C21H30N2O2S2/c1-3-4-5-6-13-23-20-18(25-14-12-17-9-8-15-26-17)10-7-11-19(20)27(24)21(23)16(2)22/h7-11,15-16,21H,3-6,12-14,22H2,1-2H3