2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(4-methoxyphenyl)ethyl]propanamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]propionamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CC=C(C=C4)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CC=C(C=C4)OC)F

InChI

InChI=1S/C27H26FN3O3S/c1-17-8-11-20(16-23(17)28)31-26(33)22-6-4-5-7-24(22)30-27(31)35-18(2)25(32)29-15-14-19-9-12-21(34-3)13-10-19/h4-13,16,18H,14-15H2,1-3H3,(H,29,32)