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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-13-11-14(7-8-16(13)21)22-18(25)12-28-20-23-17-6-4-3-5-15(17)19(26)24(20)9-10-27-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)