6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide

Systemtic Name: 6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: 6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-oxo-isothiochromane-1-carboxamide CAS Name: 6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: 6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: 6-cyclohexyl-N-[4-(2-diethoxyphosphorylethyl)phenyl]-4-keto-isothiochroman-1-carboxamide Formula: C28H36NO5PS MolecularWeight: 529.627901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC

Isomeric SMILES

CCOP(=O)(CCC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC

InChI

InChI=1S/C28H36NO5PS/c1-3-33-35(32,34-4-2)17-16-20-10-13-23(14-11-20)29-28(31)27-24-15-12-22(21-8-6-5-7-9-21)18-25(24)26(30)19-36-27/h10-15,18,21,27H,3-9,16-17,19H2,1-2H3,(H,29,31)