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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)