N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(3,3-dimethylbutanoylamino)-3-methyl-pentanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(3,3-dimethylbutanoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(3,3-dimethylbutanoylamino)-3-methyl-pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3,3-dimethyl-1-oxobutyl)amino]-3-methylpentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(3,3-dimethylbutanoylamino)-3-methylpentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(3,3-dimethylbutanoylamino)-3-methyl-valeramide Formula: C20H27BrN4O2S MolecularWeight: 467.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H27BrN4O2S/c1-6-12(2)16(22-15(26)11-20(3,4)5)17(27)23-19-25-24-18(28-19)13-7-9-14(21)10-8-13/h7-10,12,16H,6,11H2,1-5H3,(H,22,26)(H,23,25,27)