N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C28H24N4O4S2 MolecularWeight: 544.64456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C28H24N4O4S2/c1-18(27(33)29-19-13-15-21(16-14-19)32(35)36)37-22-8-6-7-20(17-22)30-28(34)31-23-9-2-4-11-25(23)38-26-12-5-3-10-24(26)31/h2-18,23,25H,1H3,(H,29,33)(H,30,34)