2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide

Systemtic Name: 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Openeye Name: 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide CAS Name: 2-[[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzamide IUPAC Name: 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzamide Traditional Name: 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C25H30N4O2S/c1-5-21(23(31)28-20-9-7-6-8-18(20)22(27)30)32-24-16(14-26)12-15-13-17(25(2,3)4)10-11-19(15)29-24/h6-9,12,17,21H,5,10-11,13H2,1-4H3,(H2,27,30)(H,28,31)