N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C27H21BrFN3O2S2 MolecularWeight: 582.506943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3C=CC=CC3S2)C(=O)NC4=CC(=CC=C4)SCC(=O)NC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C27H21BrFN3O2S2/c28-17-12-13-21(20(29)14-17)31-26(33)16-35-19-7-5-6-18(15-19)30-27(34)32-22-8-1-3-10-24(22)36-25-11-4-2-9-23(25)32/h1-15,22,24H,16H2,(H,30,34)(H,31,33)