4-[(6-bromanyl-4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[6-bromo-4-oxo-2-(phenacylthio)-3-quinazolinyl]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[6-bromo-4-keto-2-(phenacylthio)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Formula: C27H24BrN3O4S MolecularWeight: 566.46616

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24BrN3O4S/c1-35-14-13-29-25(33)20-9-7-18(8-10-20)16-31-26(34)22-15-21(28)11-12-23(22)30-27(31)36-17-24(32)19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,29,33)