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

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-fluoranylethyl)piperazin-1-yl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-fluoroethyl)-1-piperazinyl]phenyl]-3-methyl-5-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-fluoroethyl)piperazino]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C24H33FN6OS MolecularWeight: 472.621823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33FN6OS/c1-17(2)16-21(23(32)27-10-9-26)28-24-22(18(3)29-33-24)19-4-6-20(7-5-19)31-14-12-30(11-8-25)13-15-31/h4-7,17,21,28H,8,10-16H2,1-3H3,(H,27,32)