6-[4-[6-bromanyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]phenoxy]-N-methyl-hexan-1-amine

Systemtic Name: 6-[4-[6-bromanyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]phenoxy]-N-methyl-hexan-1-amine Openeye Name: 6-[4-(6-bromo-1,1-dioxo-1,2-benzothiazol-3-yl)phenoxy]-N-methyl-hexan-1-amine CAS Name: 6-[4-(6-bromo-1,1-dioxo-1,2-benzothiazol-3-yl)phenoxy]-N-methyl-1-hexanamine IUPAC Name: 6-[4-(6-bromo-1,1-dioxo-1,2-benzothiazol-3-yl)phenoxy]-N-methylhexan-1-amine Traditional Name: 6-[4-(6-bromo-1,1-diketo-1,2-benzothiazol-3-yl)phenoxy]hexyl-methyl-amine Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCCOC1=CC=C(C=C1)C2=NS(=O)(=O)C3=C2C=CC(=C3)Br

Isomeric SMILES

CNCCCCCCOC1=CC=C(C=C1)C2=NS(=O)(=O)C3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-22-12-4-2-3-5-13-26-17-9-6-15(7-10-17)20-18-11-8-16(21)14-19(18)27(24,25)23-20/h6-11,14,22H,2-5,12-13H2,1H3