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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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