N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]butyramide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC=C(C=C5)F

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O3S/c1-2-22(24(31)28-17-11-12-20-21(13-17)33-14-32-20)34-25-29-19-6-4-3-5-18(19)23(30-25)27-16-9-7-15(26)8-10-16/h3-13,22H,2,14H2,1H3,(H,28,31)(H,27,29,30)