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

Systemtic Name: 1-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(2-fluorophenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[(2-fluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C27H31FN4O3S MolecularWeight: 510.623443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=CC=C4F

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=CC=C4F

InChI

InChI=1S/C27H31FN4O3S/c1-2-3-6-13-32-26(35)21-10-9-19(25(34)31-14-11-18(12-15-31)24(29)33)16-23(21)30-27(32)36-17-20-7-4-5-8-22(20)28/h4-5,7-10,16,18H,2-3,6,11-15,17H2,1H3,(H2,29,33)