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

Systemtic Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-4-keto-2-[(4-nitrobenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=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

CCCNC(=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/C25H21FN4O4S/c1-2-12-27-23(31)17-8-11-21-22(13-17)28-25(29(24(21)32)20-5-3-4-18(26)14-20)35-15-16-6-9-19(10-7-16)30(33)34/h3-11,13-14H,2,12,15H2,1H3,(H,27,31)