3-[[3,5-di(butan-2-yl)-4-oxidanyl-phenyl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[3,5-di(butan-2-yl)-4-oxidanyl-phenyl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-hydroxy-3,5-disec-butyl-phenyl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[3,5-di(butan-2-yl)-4-hydroxyphenyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[3,5-di(butan-2-yl)-4-hydroxyphenyl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-(4-hydroxy-3,5-disec-butyl-benzyl)-1,3-benzothiazole-2-thione Formula: C22H27NOS2 MolecularWeight: 385.58588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)C(C)CC)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)C(C)CC)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C22H27NOS2/c1-5-14(3)17-11-16(12-18(21(17)24)15(4)6-2)13-23-19-9-7-8-10-20(19)26-22(23)25/h7-12,14-15,24H,5-6,13H2,1-4H3