4-cyano-3-methyl-N-(2-methylphenyl)-5-(3-phenylpropanoylamino)thiophene-2-carboxamide

Systemtic Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-(3-phenylpropanoylamino)thiophene-2-carboxamide Openeye Name: 4-cyano-3-methyl-N-(o-tolyl)-5-(3-phenylpropanoylamino)thiophene-2-carboxamide CAS Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxamide IUPAC Name: 4-cyano-3-methyl-N-(2-methylphenyl)-5-(3-phenylpropanoylamino)thiophene-2-carboxamide Traditional Name: 4-cyano-5-(hydrocinnamoylamino)-3-methyl-N-(o-tolyl)thiophene-2-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H21N3O2S/c1-15-8-6-7-11-19(15)25-22(28)21-16(2)18(14-24)23(29-21)26-20(27)13-12-17-9-4-3-5-10-17/h3-11H,12-13H2,1-2H3,(H,25,28)(H,26,27)