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

Systemtic Name: 3-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(cyclopentylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(cyclopentylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C20H19N3OS3 MolecularWeight: 413.57936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC3=C(S2)C=C(C=C3)NCN4C5=CC=CC=C5OC4=S

Isomeric SMILES

C1CCC(C1)SC2=NC3=C(S2)C=C(C=C3)NCN4C5=CC=CC=C5OC4=S

InChI

InChI=1S/C20H19N3OS3/c25-20-23(16-7-3-4-8-17(16)24-20)12-21-13-9-10-15-18(11-13)27-19(22-15)26-14-5-1-2-6-14/h3-4,7-11,14,21H,1-2,5-6,12H2