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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: 4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-butyramide Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

InChI=1S/C26H22FN3O4S/c27-18-5-3-6-19(14-18)30-25(32)20-7-1-2-8-21(20)29-26(30)35-12-4-9-24(31)28-15-17-10-11-22-23(13-17)34-16-33-22/h1-3,5-8,10-11,13-14H,4,9,12,15-16H2,(H,28,31)