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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[3-(3-hydroxypropyl)-4-keto-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=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C20H19ClN4O5S/c1-12(18(27)22-17-8-7-13(25(29)30)11-15(17)21)31-20-23-16-6-3-2-5-14(16)19(28)24(20)9-4-10-26/h2-3,5-8,11-12,26H,4,9-10H2,1H3,(H,22,27)