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

Systemtic Name: N-(cyanomethyl)-2-[[4-(2-fluoranyl-4-piperazin-1-yl-phenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(2-fluoro-4-piperazin-1-yl-phenyl)-3-methyl-isothiazol-5-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[2-fluoro-4-(1-piperazinyl)phenyl]-3-methyl-5-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(2-fluoro-4-piperazin-1-ylphenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(2-fluoro-4-piperazino-phenyl)-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C22H29FN6OS MolecularWeight: 444.568663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=C(C=C(C=C2)N3CCNCC3)F)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=C(C=C(C=C2)N3CCNCC3)F)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C22H29FN6OS/c1-14(2)12-19(21(30)26-7-6-24)27-22-20(15(3)28-31-22)17-5-4-16(13-18(17)23)29-10-8-25-9-11-29/h4-5,13-14,19,25,27H,7-12H2,1-3H3,(H,26,30)