N-[(4-fluorophenyl)methyl]-3-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)propanamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[4-oxo-2-(phenacylthio)-3-quinazolinyl]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)propanamide Traditional Name: N-(4-fluorobenzyl)-3-[4-keto-2-(phenacylthio)quinazolin-3-yl]propionamide Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3O3S/c27-20-12-10-18(11-13-20)16-28-24(32)14-15-30-25(33)21-8-4-5-9-22(21)29-26(30)34-17-23(31)19-6-2-1-3-7-19/h1-13H,14-17H2,(H,28,32)