diethyl-[2-[7-[(4-fluorophenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[7-[(4-fluorophenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[7-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[7-[(4-fluorobenzyl)carbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C22H26FN4O2S+ MolecularWeight: 429.530843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)NC1=S

InChI

InChI=1S/C22H25FN4O2S/c1-3-26(4-2)11-12-27-21(29)18-10-7-16(13-19(18)25-22(27)30)20(28)24-14-15-5-8-17(23)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,30)/p+1