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

Systemtic Name: 3-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2S/c24-18-8-6-17(7-9-18)16-26-11-3-12-27(15-14-26)21(29)10-13-28-22(30)19-4-1-2-5-20(19)25-23(28)31/h1-2,4-9H,3,10-16H2,(H,25,31)