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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C26H25N3O2S/c1-2-24(32-26-19(17-27)16-18-8-6-7-11-23(18)29-26)25(30)28-20-12-14-22(15-13-20)31-21-9-4-3-5-10-21/h3-5,9-10,12-16,24H,2,6-8,11H2,1H3,(H,28,30)