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

Systemtic Name: 3-(3-fluorophenyl)-N-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-isobutyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-(2-methylpropyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-N-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-isobutyl-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C26H23FN4O4S MolecularWeight: 506.548623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=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

CC(C)CNC(=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/C26H23FN4O4S/c1-16(2)14-28-24(32)18-8-11-22-23(12-18)29-26(30(25(22)33)21-5-3-4-19(27)13-21)36-15-17-6-9-20(10-7-17)31(34)35/h3-13,16H,14-15H2,1-2H3,(H,28,32)