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

Systemtic Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)butanamide Openeye Name: 3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)butanamide CAS Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(1-oxo-3-phenylpropyl)amino]butanamide IUPAC Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)butanamide Traditional Name: 2-(hydrocinnamoylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-15(2)20(24-19(28)13-12-17-9-5-4-6-10-17)21(29)25-23-27-26-22(30-23)18-11-7-8-16(3)14-18/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,28)(H,25,27,29)