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

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C23H18BrN3O3S2 MolecularWeight: 528.44132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O3S2/c1-30-19-5-3-2-4-17(19)22(29)26-16-10-11-18-20(12-16)32-23(27-18)31-13-21(28)25-15-8-6-14(24)7-9-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29)