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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O3S/c22-17-8-3-1-6-15(17)10-11-23-19(27)14-29-21-24-18-9-4-2-7-16(18)20(28)25(21)12-5-13-26/h1-4,6-9,26H,5,10-14H2,(H,23,27)