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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)isothiazol-3-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperazinyl)phenyl]-3-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazinophenyl)isothiazol-3-yl]amino]valeramide Formula: C21H28N6OS MolecularWeight: 412.55162

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-15(2)13-19(21(28)24-8-7-22)25-20-18(14-29-26-20)16-3-5-17(6-4-16)27-11-9-23-10-12-27/h3-6,14-15,19,23H,8-13H2,1-2H3,(H,24,28)(H,25,26)