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

Systemtic Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(3-fluorophenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[(3-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=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN4O3S/c1-2-3-4-12-32-26(35)22-9-8-20(25(34)31-13-10-19(11-14-31)24(29)33)16-23(22)30-27(32)36-17-18-6-5-7-21(28)15-18/h5-9,15-16,19H,2-4,10-14,17H2,1H3,(H2,29,33)