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

Systemtic Name: 5-azanyl-4-cyano-3-phenyl-N-[(phenylmethyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-phenyl-2,3-dihydrothiophene-2-carboxamide CAS Name: 5-amino-4-cyano-N-[oxo-[(phenylmethyl)amino]methyl]-3-phenyl-2,3-dihydrothiophene-2-carboxamide IUPAC Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-phenyl-2,3-dihydrothiophene-2-carboxamide Traditional Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-phenyl-2,3-dihydrothiophene-2-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c21-11-15-16(14-9-5-2-6-10-14)17(27-18(15)22)19(25)24-20(26)23-12-13-7-3-1-4-8-13/h1-10,16-17H,12,22H2,(H2,23,24,25,26)