2-[ethyl(2-quinazolin-4-ylsulfanylethanoyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[ethyl(2-quinazolin-4-ylsulfanylethanoyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[ethyl-[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[ethyl-[2-(quinazolin-4-ylthio)acetyl]amino]-N-(4-fluorobenzyl)acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H21FN4O2S/c1-2-26(12-19(27)23-11-15-7-9-16(22)10-8-15)20(28)13-29-21-17-5-3-4-6-18(17)24-14-25-21/h3-10,14H,2,11-13H2,1H3,(H,23,27)