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

Systemtic Name: 3-[[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(pentylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(amylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C20H21N3OS3 MolecularWeight: 415.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C20H21N3OS3/c1-2-3-6-11-26-19-22-15-10-9-14(12-18(15)27-19)21-13-23-16-7-4-5-8-17(16)24-20(23)25/h4-5,7-10,12,21H,2-3,6,11,13H2,1H3