2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-13-7-8-14(11-17(13)24(27)28)21-18(25)12-30-20-22-16-6-4-3-5-15(16)19(26)23(20)9-10-29-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)