N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)thiazol-4-yl]phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)-4-thiazolyl]phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[3-[2-(dimethylamino)thiazol-4-yl]phenyl]phenyl]-4-methyl-valeramide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)N(C)C)C(=O)NCC#N

InChI

InChI=1S/C25H28N4OS/c1-17(2)13-22(24(30)27-12-11-26)20-9-5-7-18(14-20)19-8-6-10-21(15-19)23-16-31-25(28-23)29(3)4/h5-10,14-17,22H,12-13H2,1-4H3,(H,27,30)