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

Systemtic Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-3-(3-fluorophenyl)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C25H21F2N3O2S MolecularWeight: 465.514946

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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=C3F)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21F2N3O2S/c1-15(2)28-23(31)16-10-11-20-22(12-16)29-25(33-14-17-6-3-4-9-21(17)27)30(24(20)32)19-8-5-7-18(26)13-19/h3-13,15H,14H2,1-2H3,(H,28,31)