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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-isopropyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-isopropyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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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)F)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4

InChI

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