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

Systemtic Name: 3-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C24H29N3OS3 MolecularWeight: 471.70156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C24H29N3OS3/c1-2-3-4-5-6-7-10-15-30-23-26-19-14-13-18(16-22(19)31-23)25-17-27-20-11-8-9-12-21(20)28-24(27)29/h8-9,11-14,16,25H,2-7,10,15,17H2,1H3