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

Systemtic Name: 3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C22H25N3OS3 MolecularWeight: 443.6484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C22H25N3OS3/c1-2-3-4-5-8-13-28-21-24-17-12-11-16(14-20(17)29-21)23-15-25-18-9-6-7-10-19(18)26-22(25)27/h6-7,9-12,14,23H,2-5,8,13,15H2,1H3