N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(3-fluorobenzyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H22FN3O3S/c1-24(13-15-6-4-7-16(22)12-15)19(27)14-29-21-23-18-9-3-2-8-17(18)20(28)25(21)10-5-11-26/h2-4,6-9,12,26H,5,10-11,13-14H2,1H3