N-(2-chloranyl-5-nitro-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C20H19ClN4O5S/c1-12(18(26)22-17-11-13(25(28)29)7-8-15(17)21)31-20-23-16-6-4-3-5-14(16)19(27)24(20)9-10-30-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)