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

Systemtic Name: 1-[3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-2-[(3-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=C5)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC(=CC=C5)F

InChI

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