2-(4-chloranylphenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-[(6R)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-propionamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-4-5-14-6-11-17-18(13-24)20(28-19(17)12-14)25-21(26)22(2,3)27-16-9-7-15(23)8-10-16/h7-10,14H,4-6,11-12H2,1-3H3,(H,25,26)/t14-/m1/s1