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

Systemtic Name: N-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methylbenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C23H17BrN2O2S2 MolecularWeight: 497.42728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrN2O2S2/c1-14-3-2-4-16(11-14)22(28)25-18-9-10-19-21(12-18)30-23(26-19)29-13-20(27)15-5-7-17(24)8-6-15/h2-12H,13H2,1H3,(H,25,28)