3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H26F2N4O2S MolecularWeight: 520.593446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C28H26F2N4O2S/c29-21-9-5-19(6-10-21)26(20-7-11-22(30)12-8-20)33-17-15-32(16-18-33)25(35)13-14-34-27(36)23-3-1-2-4-24(23)31-28(34)37/h1-12,26H,13-18H2,(H,31,37)