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

Systemtic Name: 4-bromanyl-N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-keto-2-(p-anisidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C23H18BrN3O3S2 MolecularWeight: 528.44132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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