N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-chloranyl-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-chloranyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-chloro-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-chlorobenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-chlorobenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-4-chloro-benzamide Formula: C21H14BrClN2OS2 MolecularWeight: 489.83566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H14BrClN2OS2/c22-15-5-1-13(2-6-15)12-27-21-25-18-10-9-17(11-19(18)28-21)24-20(26)14-3-7-16(23)8-4-14/h1-11H,12H2,(H,24,26)