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

Systemtic Name: N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Openeye Name: N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide CAS Name: N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(1-oxopropylamino)-3-phenylpropanamide IUPAC Name: N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Traditional Name: N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-propionamido-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)C

Isomeric SMILES

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-3-18(26)22-17(13-15-9-5-4-6-10-15)19(27)23-21-25-24-20(28-21)16-11-7-8-14(2)12-16/h4-12,17H,3,13H2,1-2H3,(H,22,26)(H,23,25,27)