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

Systemtic Name: 7-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H23FN4O3S MolecularWeight: 466.527823

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F)NC1=S

InChI

InChI=1S/C24H23FN4O3S/c1-2-9-29-23(32)19-8-5-17(15-20(19)26-24(29)33)22(31)28-12-10-27(11-13-28)21(30)14-16-3-6-18(25)7-4-16/h2-8,15H,1,9-14H2,(H,26,33)