N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

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