(2R,3R)-5-azanyl-4-cyano-3-(4-methylphenyl)-N-[(4-methylphenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide

Systemtic Name: (2R,3R)-5-azanyl-4-cyano-3-(4-methylphenyl)-N-[(4-methylphenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: (2R,3R)-5-amino-4-cyano-3-(p-tolyl)-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: (2R,3R)-5-amino-4-cyano-N-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-2,3-dihydrothiophene-2-carboxamide IUPAC Name: (2R,3R)-5-amino-4-cyano-3-(4-methylphenyl)-N-[(4-methylphenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Traditional Name: (2R,3R)-5-amino-4-cyano-3-(p-tolyl)-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H](SC(=C2C#N)N)C(=O)NC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H20N4O2S/c1-12-3-7-14(8-4-12)17-16(11-22)19(23)28-18(17)20(26)25-21(27)24-15-9-5-13(2)6-10-15/h3-10,17-18H,23H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m1/s1