N-[4-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[4-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[4-[[2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[4-[[2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[4-[[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[4-[[2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C26H23FN4O2S MolecularWeight: 474.549823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23FN4O2S/c1-3-23(32)29-21-12-10-19(13-16(21)2)28-24(33)15-34-26-20-14-18(27)9-11-22(20)30-25(31-26)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,28,33)(H,29,32)