2-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]carbamoyl]benzoic acid Formula: C28H20N2O4S2 MolecularWeight: 512.5994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C28H20N2O4S2/c31-26(30-22-12-3-5-14-24(22)36-25-15-6-4-13-23(25)30)17-35-19-9-7-8-18(16-19)29-27(32)20-10-1-2-11-21(20)28(33)34/h1-16H,17H2,(H,29,32)(H,33,34)