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

Systemtic Name: 3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylbutanoylamino)pentanamide Openeye Name: 3-methyl-2-(2-phenylbutanoylamino)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide CAS Name: 3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(1-oxo-2-phenylbutyl)amino]pentanamide IUPAC Name: 3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylbutanoylamino)pentanamide Traditional Name: 3-methyl-2-(2-phenylbutanoylamino)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]valeramide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-5-17(4)21(26-22(30)20(6-2)18-10-8-7-9-11-18)23(31)27-25-29-28-24(32-25)19-14-12-16(3)13-15-19/h7-15,17,20-21H,5-6H2,1-4H3,(H,26,30)(H,27,29,31)