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

Systemtic Name: N-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-chloranyl-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-chloro-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-chlorobenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-chlorobenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-chloro-benzamide Formula: C22H14BrClN2O2S2 MolecularWeight: 517.84576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C22H14BrClN2O2S2/c23-15-5-1-13(2-6-15)19(27)12-29-22-26-18-10-9-17(11-20(18)30-22)25-21(28)14-3-7-16(24)8-4-14/h1-11H,12H2,(H,25,28)