2-bromanyl-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H23BrN2OS2 MolecularWeight: 511.49692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H23BrN2OS2/c1-25(2,3)17-10-8-16(9-11-17)15-30-24-28-21-13-12-18(14-22(21)31-24)27-23(29)19-6-4-5-7-20(19)26/h4-14H,15H2,1-3H3,(H,27,29)