3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-4-keto-N-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C25H21FN4O5S MolecularWeight: 508.521443

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)F

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21FN4O5S/c1-35-12-11-27-23(31)17-7-10-21-22(13-17)28-25(29(24(21)32)20-4-2-3-18(26)14-20)36-15-16-5-8-19(9-6-16)30(33)34/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)