3-chloranyl-N-[2,5-diethoxy-4-(propanoylamino)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2,5-diethoxy-4-(propanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2,5-diethoxy-4-(propanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2,5-diethoxy-4-(1-oxopropylamino)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2,5-diethoxy-4-(propanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2,5-diethoxy-4-propionamido-phenyl)benzothiophene-2-carboxamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

InChI

InChI=1S/C22H23ClN2O4S/c1-4-19(26)24-14-11-17(29-6-3)15(12-16(14)28-5-2)25-22(27)21-20(23)13-9-7-8-10-18(13)30-21/h7-12H,4-6H2,1-3H3,(H,24,26)(H,25,27)