4-oxidanylidene-4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylanilino]butanoic acid CAS Name: 4-oxo-4-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]butanoic acid IUPAC Name: 4-oxo-4-[3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylanilino]butanoic acid Traditional Name: 4-keto-4-[3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]anilino]butyric acid Formula: C24H20N2O4S2 MolecularWeight: 464.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=CC(=C4)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=CC(=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C24H20N2O4S2/c27-22(12-13-24(29)30)25-16-6-5-7-17(14-16)31-15-23(28)26-18-8-1-3-10-20(18)32-21-11-4-2-9-19(21)26/h1-11,14H,12-13,15H2,(H,25,27)(H,29,30)