3-(4-fluorophenyl)-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(4-fluorophenyl)-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-fluorophenyl)-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-(4-fluorophenyl)-7-[oxo-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-fluorophenyl)-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-fluorophenyl)-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H25FN4O2S/c28-20-9-11-21(12-10-20)32-26(34)22-13-8-19(16-23(22)30-27(32)35)25(33)29-17-24(31-14-4-5-15-31)18-6-2-1-3-7-18/h1-3,6-13,16,24,34H,4-5,14-15,17H2,(H,29,33)/t24-/m0/s1