3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-(6-fluoroindoxazen-3-yl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C22H21FN4O2S/c23-15-5-6-17-19(13-15)29-25-20(17)14-7-9-26(10-8-14)11-12-27-21(28)16-3-1-2-4-18(16)24-22(27)30/h1-6,13-14H,7-12H2,(H,24,30)