2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-fluorophenyl)propanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-fluorophenyl)propanamide Openeye Name: N-(3-fluorophenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(3-fluorophenyl)propanamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-fluorophenyl)propanamide Traditional Name: N-(3-fluorophenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]propionamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-4-13(2)25-20(27)17-10-5-6-11-18(17)24-21(25)28-14(3)19(26)23-16-9-7-8-15(22)12-16/h5-14H,4H2,1-3H3,(H,23,26)