2-(1,3-benzothiazol-2-yl)-1-(2-bromanyl-5-methoxy-phenyl)ethanamine

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1-(2-bromanyl-5-methoxy-phenyl)ethanamine Openeye Name: 2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methoxy-phenyl)ethanamine CAS Name: 2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine Traditional Name: [2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methoxy-phenyl)ethyl]amine Formula: C16H15BrN2OS MolecularWeight: 363.2721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(CC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(CC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C16H15BrN2OS/c1-20-10-6-7-12(17)11(8-10)13(18)9-16-19-14-4-2-3-5-15(14)21-16/h2-8,13H,9,18H2,1H3