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

Systemtic Name: 6-cyclohexyl-N-[4-(dibutoxyphosphorylmethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: 6-cyclohexyl-N-[4-(dibutoxyphosphorylmethyl)phenyl]-4-oxo-isothiochromane-1-carboxamide CAS Name: 6-cyclohexyl-N-[4-(dibutoxyphosphorylmethyl)phenyl]-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: 6-cyclohexyl-N-[4-(dibutoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: 6-cyclohexyl-N-[4-(dibutoxyphosphorylmethyl)phenyl]-4-keto-isothiochroman-1-carboxamide Formula: C31H42NO5PS MolecularWeight: 571.707641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCCCC

Isomeric SMILES

CCCCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCCCC

InChI

InChI=1S/C31H42NO5PS/c1-3-5-18-36-38(35,37-19-6-4-2)21-23-12-15-26(16-13-23)32-31(34)30-27-17-14-25(24-10-8-7-9-11-24)20-28(27)29(33)22-39-30/h12-17,20,24,30H,3-11,18-19,21-22H2,1-2H3,(H,32,34)