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

Systemtic Name: 2-[[4-(4-bromophenyl)-1,2-thiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(4-bromophenyl)isothiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-bromophenyl)-3-isothiazolyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-bromophenyl)-1,2-thiazol-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-bromophenyl)isothiazol-3-yl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C17H19BrN4OS MolecularWeight: 407.32796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4OS/c1-11(2)9-15(17(23)20-8-7-19)21-16-14(10-24-22-16)12-3-5-13(18)6-4-12/h3-6,10-11,15H,8-9H2,1-2H3,(H,20,23)(H,21,22)