3-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O2S/c27-21-12-10-20(11-13-21)19-29-14-6-15-30(18-17-29)24(32)9-2-1-5-16-31-25(33)22-7-3-4-8-23(22)28-26(31)34/h3-4,7-8,10-13H,1-2,5-6,9,14-19H2,(H,28,34)