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

Systemtic Name: 6-bromanyl-3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one Openeye Name: 6-bromo-3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one CAS Name: 6-bromo-3-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazol-2-one IUPAC Name: 6-bromo-3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazol-2-one Traditional Name: 6-bromo-3-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazol-2-one Formula: C22H24BrN3OS3 MolecularWeight: 522.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)Br)SC3=O

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)Br)SC3=O

InChI

InChI=1S/C22H24BrN3OS3/c1-2-3-4-5-6-11-28-21-25-17-9-8-16(13-19(17)29-21)24-14-26-18-10-7-15(23)12-20(18)30-22(26)27/h7-10,12-13,24H,2-6,11,14H2,1H3