2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4S/c1-2-16-27-25(33)29-23(31)17-35-26-28-22-11-7-6-10-21(22)24(32)30(26)18-12-14-20(15-13-18)34-19-8-4-3-5-9-19/h2-15H,1,16-17H2,(H2,27,29,31,33)