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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H22ClFN4O2S MolecularWeight: 508.994883

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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=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClFN4O2S/c27-19-4-1-17(2-5-19)16-32-25(34)22-10-3-18(15-23(22)29-26(32)35)24(33)31-13-11-30(12-14-31)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,35)