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

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-methoxyethyl)-1-piperazinyl]phenyl]-3-methyl-5-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-methyl-1,2-thiazol-5-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[4-(2-methoxyethyl)piperazino]phenyl]-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C25H36N6O2S MolecularWeight: 484.65734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O2S/c1-18(2)17-22(24(32)27-10-9-26)28-25-23(19(3)29-34-25)20-5-7-21(8-6-20)31-13-11-30(12-14-31)15-16-33-4/h5-8,18,22,28H,10-17H2,1-4H3,(H,27,32)