N-(6-azanylhexyl)-4-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(6-azanylhexyl)-4-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]butyramide Formula: C25H29F3N4O2S MolecularWeight: 506.58357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C25H29F3N4O2S/c26-25(27,28)18-9-7-10-19(17-18)32-23(34)20-11-3-4-12-21(20)31-24(32)35-16-8-13-22(33)30-15-6-2-1-5-14-29/h3-4,7,9-12,17H,1-2,5-6,8,13-16,29H2,(H,30,33)