2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C20H28BrN3O3S MolecularWeight: 470.42362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCCOCC

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCCOCC

InChI

InChI=1S/C20H28BrN3O3S/c1-4-7-14(3)22-18(25)13-28-20-23-17-9-8-15(21)12-16(17)19(26)24(20)10-6-11-27-5-2/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,22,25)/t14-/m0/s1