N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-chlorophenyl)thio]propionamide Formula: C22H25ClN2OS2 MolecularWeight: 433.0297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2OS2/c1-22(2,3)14-4-9-17-18(13-24)21(28-19(17)12-14)25-20(26)10-11-27-16-7-5-15(23)6-8-16/h5-8,14H,4,9-12H2,1-3H3,(H,25,26)