N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]propionamide Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24FN3O2S/c1-25(13-14-7-8-18(27-2)17(22)11-14)10-9-20(26)24-21-16(12-23)15-5-3-4-6-19(15)28-21/h7-8,11H,3-6,9-10,13H2,1-2H3,(H,24,26)