2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[2-(2-furanyl)-4-quinazolinyl]thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-23(26-19-12-13-29(16-19)15-18-7-2-1-3-8-18)17-32-25-20-9-4-5-10-21(20)27-24(28-25)22-11-6-14-31-22/h1-11,14,19H,12-13,15-17H2,(H,26,30)/p+1/t19-/m0/s1