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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=S)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=S)N3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O4S/c1-2-25-19-13-17(27(30)31)7-8-18(19)21(29)26(22(25)32)24-11-9-15(10-12-24)20(28)14-3-5-16(23)6-4-14/h3-8,13,15H,2,9-12H2,1H3