6-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C28H24N2O4S2 MolecularWeight: 516.63116

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC(=CC=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C28H24N2O4S2/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/h1-9,12-16,20-21H,10-11,17H2,(H,29,32)(H,33,34)