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

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

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

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