1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(3-fluorobenzyl)thio]-3-(4-fluorophenyl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H24F2N4O3S MolecularWeight: 534.576966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H24F2N4O3S/c29-20-5-7-22(8-6-20)34-27(37)23-9-4-19(26(36)33-12-10-18(11-13-33)25(31)35)15-24(23)32-28(34)38-16-17-2-1-3-21(30)14-17/h1-9,14-15,18H,10-13,16H2,(H2,31,35)