N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide Openeye Name: 2-(3-phenylpropanoylamino)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide Traditional Name: 2-(hydrocinnamoylamino)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14-8-11-17(12-9-14)20-24-25-21(28-20)23-19(27)15(2)22-18(26)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13H2,1-2H3,(H,22,26)(H,23,25,27)