3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C23H27N3OS3 MolecularWeight: 457.67498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C23H27N3OS3/c1-2-3-4-5-6-9-14-29-22-25-18-13-12-17(15-21(18)30-22)24-16-26-19-10-7-8-11-20(19)27-23(26)28/h7-8,10-13,15,24H,2-6,9,14,16H2,1H3