N-(2-bromanyl-4-methyl-phenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-14-8-9-18(16(22)12-14)23-19(26)13-29-21-24-17-7-4-3-6-15(17)20(27)25(21)10-5-11-28-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,26)