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

Systemtic Name: 1-[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(4-fluorophenyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-fluorophenyl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C29H27FN4O3S MolecularWeight: 530.613083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN4O3S/c1-18-2-4-19(5-3-18)17-38-29-32-25-16-21(27(36)33-14-12-20(13-15-33)26(31)35)6-11-24(25)28(37)34(29)23-9-7-22(30)8-10-23/h2-11,16,20H,12-15,17H2,1H3,(H2,31,35)