4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[oxo-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]carbamoyl]isophthalic acid Formula: C29H20N2O6S2 MolecularWeight: 556.6089

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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)C5=C(C=C(C=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=CC(=C4)NC(=O)C5=C(C=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C29H20N2O6S2/c32-26(31-22-8-1-3-10-24(22)39-25-11-4-2-9-23(25)31)16-38-19-7-5-6-18(15-19)30-27(33)20-13-12-17(28(34)35)14-21(20)29(36)37/h1-15H,16H2,(H,30,33)(H,34,35)(H,36,37)