3-nitro-N-[4-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[4-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)sulfanylphenyl]benzamide Openeye Name: N-[4-(1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[[1-oxo-1-(10-phenothiazinyl)propan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(2-keto-1-methyl-2-phenothiazin-10-yl-ethyl)thio]phenyl]-3-nitro-benzamide Formula: C28H21N3O4S2 MolecularWeight: 527.61404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O4S2/c1-18(28(33)30-23-9-2-4-11-25(23)37-26-12-5-3-10-24(26)30)36-22-15-13-20(14-16-22)29-27(32)19-7-6-8-21(17-19)31(34)35/h2-18H,1H3,(H,29,32)