3-(4-fluorophenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O2S/c26-18-7-9-20(10-8-18)30-24(32)21-11-6-17(16-22(21)27-25(30)33)23(31)29-14-12-28(13-15-29)19-4-2-1-3-5-19/h1-11,16H,12-15H2,(H,27,33)