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

Systemtic Name: (2R,3R)-5-azanyl-3-(4-bromophenyl)-4-cyano-N-[(4-methylphenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: (2R,3R)-5-amino-3-(4-bromophenyl)-4-cyano-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: (2R,3R)-5-amino-3-(4-bromophenyl)-4-cyano-N-[(4-methylanilino)-oxomethyl]-2,3-dihydrothiophene-2-carboxamide IUPAC Name: (2R,3R)-5-amino-3-(4-bromophenyl)-4-cyano-N-[(4-methylphenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Traditional Name: (2R,3R)-5-amino-3-(4-bromophenyl)-4-cyano-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(=O)[C@H]2[C@@H](C(=C(S2)N)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-11-2-8-14(9-3-11)24-20(27)25-19(26)17-16(15(10-22)18(23)28-17)12-4-6-13(21)7-5-12/h2-9,16-17H,23H2,1H3,(H2,24,25,26,27)/t16-,17-/m1/s1