3-[4-[(2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)carbonyl]phenyl]-N,N-diethyl-propanamide

Systemtic Name: 3-[4-[(2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)carbonyl]phenyl]-N,N-diethyl-propanamide Openeye Name: 3-[4-(2-cyclohexyl-6-hydroxy-benzothiophene-3-carbonyl)phenyl]-N,N-diethyl-propanamide CAS Name: 3-[4-[(2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-oxomethyl]phenyl]-N,N-diethylpropanamide IUPAC Name: 3-[4-(2-cyclohexyl-6-hydroxy-1-benzothiophene-3-carbonyl)phenyl]-N,N-diethylpropanamide Traditional Name: 3-[4-(2-cyclohexyl-6-hydroxy-benzothiophene-3-carbonyl)phenyl]-N,N-diethyl-propionamide Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4CCCCC4

Isomeric SMILES

CCN(CC)C(=O)CCC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4CCCCC4

InChI

InChI=1S/C28H33NO3S/c1-3-29(4-2)25(31)17-12-19-10-13-20(14-11-19)27(32)26-23-16-15-22(30)18-24(23)33-28(26)21-8-6-5-7-9-21/h10-11,13-16,18,21,30H,3-9,12,17H2,1-2H3