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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]propionamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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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)N2CCCOC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C21H21ClN4O5S/c1-13(19(27)23-18-9-8-14(26(29)30)12-16(18)22)32-21-24-17-7-4-3-6-15(17)20(28)25(21)10-5-11-31-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,23,27)