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

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C24H20BrN3O4S2 MolecularWeight: 558.4673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C24H20BrN3O4S2/c1-31-19-10-3-14(11-20(19)32-2)23(30)27-17-8-9-18-21(12-17)34-24(28-18)33-13-22(29)26-16-6-4-15(25)5-7-16/h3-12H,13H2,1-2H3,(H,26,29)(H,27,30)