N-(4-methyl-3-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-14-9-10-16(12-20(14)27(30)31)24-21(28)15(2)33-23-25-19-8-4-3-7-18(19)22(29)26(23)13-17-6-5-11-32-17/h3-4,7-10,12,15,17H,5-6,11,13H2,1-2H3,(H,24,28)