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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(3-methyl-1-oxobutyl)amino]pentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(isovalerylamino)-3-methyl-valeramide Formula: C19H25BrN4O2S MolecularWeight: 453.3964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O2S/c1-5-12(4)16(21-15(25)9-11(2)3)17(26)22-19-24-23-18(27-19)13-7-6-8-14(20)10-13/h6-8,10-12,16H,5,9H2,1-4H3,(H,21,25)(H,22,24,26)