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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H22FN3O3S/c1-2-18(19(27)23-15-10-8-14(22)9-11-15)29-21-24-17-7-4-3-6-16(17)20(28)25(21)12-5-13-26/h3-4,6-11,18,26H,2,5,12-13H2,1H3,(H,23,27)