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

Systemtic Name: 5-azanyl-3-(4-bromophenyl)-4-cyano-N-[(phenylmethyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: 5-amino-N-(benzylcarbamoyl)-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carboxamide CAS Name: 5-amino-3-(4-bromophenyl)-4-cyano-N-[oxo-[(phenylmethyl)amino]methyl]-2,3-dihydrothiophene-2-carboxamide IUPAC Name: 5-amino-N-(benzylcarbamoyl)-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carboxamide Traditional Name: 5-amino-N-(benzylcarbamoyl)-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carboxamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O2S/c21-14-8-6-13(7-9-14)16-15(10-22)18(23)28-17(16)19(26)25-20(27)24-11-12-4-2-1-3-5-12/h1-9,16-17H,11,23H2,(H2,24,25,26,27)