3-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)NC1=S

InChI

InChI=1S/C21H21FN4O2S/c1-2-26-20(28)17-8-3-14(13-18(17)23-21(26)29)19(27)25-11-9-24(10-12-25)16-6-4-15(22)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,23,29)