6-bromanyl-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 6-bromanyl-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one Openeye Name: 6-bromo-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one CAS Name: 6-bromo-3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazol-2-one IUPAC Name: 6-bromo-3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one Traditional Name: 6-bromo-3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazol-2-one Formula: C16H12BrN3OS3 MolecularWeight: 438.38498

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)Br)SC3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)Br)SC3=O

InChI

InChI=1S/C16H12BrN3OS3/c1-22-15-19-11-4-3-10(7-13(11)23-15)18-8-20-12-5-2-9(17)6-14(12)24-16(20)21/h2-7,18H,8H2,1H3