2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-2-11-22-20(27)24-17(26)12-28-19-15-5-3-4-6-16(15)23-18(25-19)13-7-9-14(21)10-8-13/h2-10H,1,11-12H2,(H2,22,24,26,27)