N-(4-fluorophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-fluorophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-fluorophenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(4-fluorophenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]butanamide IUPAC Name: N-(4-fluorophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-fluorophenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

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