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

Systemtic Name: 3-nitro-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]-3-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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

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