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

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylthio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C29H25BrFN3O2S2 MolecularWeight: 610.560103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C29H25BrFN3O2S2/c1-2-25(28(35)33-22-15-14-18(30)16-21(22)31)37-20-9-7-8-19(17-20)32-29(36)34-23-10-3-5-12-26(23)38-27-13-6-4-11-24(27)34/h3-17,23,25-26H,2H2,1H3,(H,32,36)(H,33,35)