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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-fluorobenzyl)thio]-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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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=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O2S/c1-18(2)15-29-25(32)20-12-13-22-24(14-20)30-27(34-17-21-10-6-7-11-23(21)28)31(26(22)33)16-19-8-4-3-5-9-19/h3-14,18H,15-17H2,1-2H3,(H,29,32)