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

Systemtic Name: 6-cyclohexyl-N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: 6-cyclohexyl-N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-oxo-isothiochromane-1-carboxamide CAS Name: 6-cyclohexyl-N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: 6-cyclohexyl-N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: 6-cyclohexyl-N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-keto-isothiochroman-1-carboxamide Formula: C25H30NO5PS MolecularWeight: 487.548161

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OC

Isomeric SMILES

COP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OC

InChI

InChI=1S/C25H30NO5PS/c1-30-32(29,31-2)15-17-8-11-20(12-9-17)26-25(28)24-21-13-10-19(18-6-4-3-5-7-18)14-22(21)23(27)16-33-24/h8-14,18,24H,3-7,15-16H2,1-2H3,(H,26,28)