3-bromanyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-bromo-benzamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-3-bromobenzamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-bromobenzamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3-bromo-benzamide Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O2S2/c23-15-6-4-5-14(11-15)21(28)25-17-9-10-18-19(12-17)30-22(26-18)29-13-20(27)24-16-7-2-1-3-8-16/h1-12H,13H2,(H,24,27)(H,25,28)