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

Systemtic Name: 3-[[(2-butan-2-ylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-sec-butylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(butan-2-ylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-butan-2-ylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(sec-butylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C19H19N3OS3 MolecularWeight: 401.56866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CCC(C)SC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C19H19N3OS3/c1-3-12(2)25-18-21-14-9-8-13(10-17(14)26-18)20-11-22-15-6-4-5-7-16(15)23-19(22)24/h4-10,12,20H,3,11H2,1-2H3