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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methyl-pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(1-oxobutylamino)pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methylpentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-butyramido-3-methyl-valeramide Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O2S/c1-4-6-14(24)20-15(11(3)5-2)16(25)21-18-23-22-17(26-18)12-7-9-13(19)10-8-12/h7-11,15H,4-6H2,1-3H3,(H,20,24)(H,21,23,25)