3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C27H23FN4O4S MolecularWeight: 518.559323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23FN4O4S/c28-19-3-5-20(6-4-19)30-9-11-31(12-10-30)25(33)18-2-7-21-22(14-18)29-27(37)32(26(21)34)15-17-1-8-23-24(13-17)36-16-35-23/h1-8,13-14H,9-12,15-16H2,(H,29,37)