4-nitro-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide

Systemtic Name: 4-nitro-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide Openeye Name: 4-nitro-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide CAS Name: 4-nitro-N-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]phenyl]benzamide IUPAC Name: 4-nitro-N-[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]-4-nitro-benzamide Formula: C27H19N3O4S2 MolecularWeight: 513.58746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O4S2/c31-26(29-22-5-1-3-7-24(22)36-25-8-4-2-6-23(25)29)17-35-21-15-11-19(12-16-21)28-27(32)18-9-13-20(14-10-18)30(33)34/h1-16H,17H2,(H,28,32)