N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C33H25BrFN3O2S2 MolecularWeight: 658.602903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Br)F)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Br)F)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C33H25BrFN3O2S2/c34-22-17-18-26(25(35)19-22)37-32(39)31(21-9-2-1-3-10-21)41-24-12-8-11-23(20-24)36-33(40)38-27-13-4-6-15-29(27)42-30-16-7-5-14-28(30)38/h1-20,27,29,31H,(H,36,40)(H,37,39)