3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromanyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromanyl-1,3-benzoxazol-2-one Openeye Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromo-1,3-benzoxazol-2-one CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromo-1,3-benzoxazol-2-one IUPAC Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromo-1,3-benzoxazol-2-one Traditional Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-bromo-1,3-benzoxazol-2-one Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CN3C4=C(C=C(C=C4)Br)OC3=O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CN3C4=C(C=C(C=C4)Br)OC3=O

InChI

InChI=1S/C17H14BrN3O2S/c1-20(9-16-19-12-4-2-3-5-15(12)24-16)10-21-13-7-6-11(18)8-14(13)23-17(21)22/h2-8H,9-10H2,1H3