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

Systemtic Name: 2-[(4-bromophenyl)-(1,3-thiazol-2-yl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-thiazol-2-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromophenyl)-(2-thiazolyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-(1,3-thiazol-2-yl)methoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromophenyl)-thiazol-2-yl-methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=NC=CS2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=NC=CS2

InChI

InChI=1S/C18H20BrN3O2S/c1-12(2)11-15(17(23)21-8-7-20)24-16(18-22-9-10-25-18)13-3-5-14(19)6-4-13/h3-6,9-10,12,15-16H,8,11H2,1-2H3,(H,21,23)