N-[(4-methylphenyl)methyl]-4-oxidanyl-2-(3-oxidanylpropyl)-1-benzothiophene-5-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-oxidanyl-2-(3-oxidanylpropyl)-1-benzothiophene-5-carboxamide Openeye Name: 4-hydroxy-2-(3-hydroxypropyl)-N-(p-tolylmethyl)benzothiophene-5-carboxamide CAS Name: 4-hydroxy-2-(3-hydroxypropyl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-5-carboxamide IUPAC Name: 4-hydroxy-2-(3-hydroxypropyl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-5-carboxamide Traditional Name: 4-hydroxy-2-(3-hydroxypropyl)-N-(4-methylbenzyl)benzothiophene-5-carboxamide Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(C=C2)SC(=C3)CCCO)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(C=C2)SC(=C3)CCCO)O

InChI

InChI=1S/C20H21NO3S/c1-13-4-6-14(7-5-13)12-21-20(24)16-8-9-18-17(19(16)23)11-15(25-18)3-2-10-22/h4-9,11,22-23H,2-3,10,12H2,1H3,(H,21,24)