N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C23H26FN4O3S+ MolecularWeight: 457.540943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c24-17-7-5-16(6-8-17)20(27-11-13-31-14-12-27)15-25-21(29)9-10-28-22(30)18-3-1-2-4-19(18)26-23(28)32/h1-8,20H,9-15H2,(H,25,29)(H,26,32)/p+1/t20-/m0/s1