3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-nitro-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-nitro-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-7-nitro-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-7-nitro-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-nitro-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-7-nitro-2-thioxo-1H-quinazolin-4-one Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=S

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=S

InChI

InChI=1S/C22H21FN4O4S/c23-16-3-1-14(2-4-16)20(28)15-7-9-25(10-8-15)11-12-26-21(29)18-6-5-17(27(30)31)13-19(18)24-22(26)32/h1-6,13,15H,7-12H2,(H,24,32)