2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-p-anisyl-butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CCCC3)C=C2C#N

InChI

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