N-(2-nitrophenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: N-(2-nitrophenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c1-15(2)31-13-7-12-25-21(28)16-8-3-4-9-17(16)24-22(25)32-14-20(27)23-18-10-5-6-11-19(18)26(29)30/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,23,27)