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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-3-phenylpropyl)amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(hydrocinnamoylamino)-3-methyl-valeramide Formula: C23H25BrN4O2S MolecularWeight: 501.4392

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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)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN4O2S/c1-3-15(2)20(25-19(29)14-9-16-7-5-4-6-8-16)21(30)26-23-28-27-22(31-23)17-10-12-18(24)13-11-17/h4-8,10-13,15,20H,3,9,14H2,1-2H3,(H,25,29)(H,26,28,30)