4-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide 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=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O5S/c1-13(2)32-9-3-8-26-21(29)17-7-6-16(23)11-18(17)25-22(26)33-12-15-5-4-14(20(24)28)10-19(15)27(30)31/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,24,28)