3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorobenzyl)thio]-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26FN3O2S/c1-4-10-29-25(32)20-8-9-23-24(15-20)30-27(34-16-19-6-5-7-21(28)14-19)31(26(23)33)22-12-17(2)11-18(3)13-22/h5-9,11-15H,4,10,16H2,1-3H3,(H,29,32)