2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O5S/c1-14(2)32-11-5-10-26-21(29)16-9-8-15(23)12-18(16)25-22(26)33-13-20(28)24-17-6-3-4-7-19(17)27(30)31/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,24,28)