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

Systemtic Name: 2-[[4-(3-bromanyl-4-piperazin-1-yl-phenyl)-1,2-thiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(3-bromo-4-piperazin-1-yl-phenyl)isothiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-[3-bromo-4-(1-piperazinyl)phenyl]-3-isothiazolyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(3-bromo-4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(3-bromo-4-piperazino-phenyl)isothiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H27BrN6OS MolecularWeight: 491.44768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CC(=C(C=C2)N3CCNCC3)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NSC=C1C2=CC(=C(C=C2)N3CCNCC3)Br

InChI

InChI=1S/C21H27BrN6OS/c1-14(2)11-18(21(29)25-6-5-23)26-20-16(13-30-27-20)15-3-4-19(17(22)12-15)28-9-7-24-8-10-28/h3-4,12-14,18,24H,6-11H2,1-2H3,(H,25,29)(H,26,27)