4-[[6-bromanyl-4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[6-bromanyl-4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[6-bromo-4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[6-bromo-4-oxo-3-(1-phenylethyl)-2-quinazolinyl]thio]methyl]benzamide IUPAC Name: 4-[[6-bromo-4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[6-bromo-4-keto-3-(1-phenylethyl)quinazolin-2-yl]thio]methyl]benzamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H20BrN3O2S/c1-15(17-5-3-2-4-6-17)28-23(30)20-13-19(25)11-12-21(20)27-24(28)31-14-16-7-9-18(10-8-16)22(26)29/h2-13,15H,14H2,1H3,(H2,26,29)