3-[(4-fluorophenyl)-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-fluorophenyl)-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(4-fluoro-N-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(4-fluoro-N-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(4-fluoro-N-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(4-fluoro-N-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]anilino)propionamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN4O3S/c1-2-3-4-7-15-30-24(33)20-8-5-6-9-21(20)28-25(30)34-17-23(32)29(16-14-22(27)31)19-12-10-18(26)11-13-19/h5-6,8-13H,2-4,7,14-17H2,1H3,(H2,27,31)