2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-nitrophenyl)propionamide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

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