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

Systemtic Name: 1-[3-cyclohexyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-2-[(2-fluorophenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-2-[(2-fluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H31FN4O3S MolecularWeight: 522.634143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=CC=C5F

InChI

InChI=1S/C28H31FN4O3S/c29-23-9-5-4-6-20(23)17-37-28-31-24-16-19(26(35)32-14-12-18(13-15-32)25(30)34)10-11-22(24)27(36)33(28)21-7-2-1-3-8-21/h4-6,9-11,16,18,21H,1-3,7-8,12-15,17H2,(H2,30,34)