6-cyclohexyl-N-(4-dipropoxyphosphorylphenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCCC

Isomeric SMILES

CCCOP(=O)(C1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCCC

InChI

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