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

Systemtic Name: N-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C21H17BrN4O2S3 MolecularWeight: 533.48428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S3/c1-26-9-8-23-20(26)29-12-19(28)24-15-6-7-16-18(10-15)31-21(25-16)30-11-17(27)13-2-4-14(22)5-3-13/h2-10H,11-12H2,1H3,(H,24,28)