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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C23H19BrN2OS2 MolecularWeight: 483.44376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN2OS2/c24-18-9-6-17(7-10-18)15-28-23-26-20-12-11-19(14-21(20)29-23)25-22(27)13-8-16-4-2-1-3-5-16/h1-7,9-12,14H,8,13,15H2,(H,25,27)