N-(5-bromanyl-2-methyl-phenyl)-2-[3-(3-methylbutyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(5-bromanyl-2-methyl-phenyl)-2-[3-(3-methylbutyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(5-bromo-2-methyl-phenyl)-2-(3-isopentylphenyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(5-bromo-2-methylphenyl)-2-[3-(3-methylbutyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(5-bromo-2-methylphenyl)-2-[3-(3-methylbutyl)phenyl]-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(5-bromo-2-methyl-phenyl)-2-(3-isoamylphenyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C26H27BrN2S2 MolecularWeight: 511.53998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC(=S)N2C(SC3=CC=CC=C32)C4=CC(=CC=C4)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC(=S)N2C(SC3=CC=CC=C32)C4=CC(=CC=C4)CCC(C)C

InChI

InChI=1S/C26H27BrN2S2/c1-17(2)11-13-19-7-6-8-20(15-19)25-29(23-9-4-5-10-24(23)31-25)26(30)28-22-16-21(27)14-12-18(22)3/h4-10,12,14-17,25H,11,13H2,1-3H3,(H,28,30)