4-[3-[(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Molecular Formula: C28H27N3O4S


InChI: InChI=1/C28H27N3O4S/c1-4-5-6-19-7-11-23(12-8-19)31-26(33)24(25(32)29-28(31)36)16-21-15-17(2)30(18(21)3)22-13-9-20(10-14-22)27(34)35/h7-16H,4-6H2,1-3H3,(H,34,35)(H,29,32,36)/b24-16+/f/h29,34H

InChIKey: InChIKey=NJWOLONOGCZQOL-FBFZCHMRDE
SMILES: CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)C(=O)NC2=S

Names:
    4-[3-[(E)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Registries:
    PubChem CID 1728021
    PubChem ID 11547761