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

Systemtic Name: 2-[[4-(3-bromanyl-4-piperazin-1-yl-phenyl)-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(3-bromo-4-piperazin-1-yl-phenyl)-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-[3-bromo-4-(1-piperazinyl)phenyl]-3-methyl-5-isothiazolyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(3-bromo-4-piperazin-1-ylphenyl)-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(3-bromo-4-piperazino-phenyl)-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C22H29BrN6OS MolecularWeight: 505.47426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN6OS/c1-14(2)12-18(21(30)26-7-6-24)27-22-20(15(3)28-31-22)16-4-5-19(17(23)13-16)29-10-8-25-9-11-29/h4-5,13-14,18,25,27H,7-12H2,1-3H3,(H,26,30)