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

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O2S2/c1-14-4-2-3-5-18(14)22(29)26-17-10-11-19-20(12-17)31-23(27-19)30-13-21(28)25-16-8-6-15(24)7-9-16/h2-12H,13H2,1H3,(H,25,28)(H,26,29)