2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)butanamide

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)butanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)butanamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(4-bromophenyl)butanamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)butanamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(4-bromophenyl)butyramide Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H18BrN3O2S2/c1-3-16(18(25)22-13-6-4-12(20)5-7-13)26-19-23-15-9-8-14(21-11(2)24)10-17(15)27-19/h4-10,16H,3H2,1-2H3,(H,21,24)(H,22,25)