2-[[4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[[4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-[4-(4-tert-butyl-1-piperazinyl)phenyl]-3-methyl-5-isothiazolyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-[4-(4-tert-butylpiperazino)phenyl]-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C26H38N6OS MolecularWeight: 482.68452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)N3CCN(CC3)C(C)(C)C)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)N3CCN(CC3)C(C)(C)C)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C26H38N6OS/c1-18(2)17-22(24(33)28-12-11-27)29-25-23(19(3)30-34-25)20-7-9-21(10-8-20)31-13-15-32(16-14-31)26(4,5)6/h7-10,18,22,29H,12-17H2,1-6H3,(H,28,33)