N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-propanoyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-propanoyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-propanoyl-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1-oxopropyl)phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-propanoylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-propionyl-phenyl]thiophene-2-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C21H28N2O4S/c1-5-17(25)16-11-14(23-20(26)19-7-6-10-28-19)8-9-18(16)27-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,26)