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

Systemtic Name: 5-azanyl-4-cyano-3-(3-nitrophenyl)-N-[(phenylmethyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: 5-amino-4-cyano-3-(3-nitrophenyl)-N-[oxo-[(phenylmethyl)amino]methyl]-2,3-dihydrothiophene-2-carboxamide IUPAC Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Traditional Name: 5-amino-N-(benzylcarbamoyl)-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Formula: C20H17N5O4S MolecularWeight: 423.44508

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4S/c21-10-15-16(13-7-4-8-14(9-13)25(28)29)17(30-18(15)22)19(26)24-20(27)23-11-12-5-2-1-3-6-12/h1-9,16-17H,11,22H2,(H2,23,24,26,27)