4-bromanyl-N-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H20BrN3O4S2 MolecularWeight: 558.4673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

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