N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-butoxyphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C22H25N3O2S/c1-2-3-12-27-19-10-8-18(9-11-19)24-21(26)15-28-22-17(14-23)13-16-6-4-5-7-20(16)25-22/h8-11,13H,2-7,12,15H2,1H3,(H,24,26)