N-(2-methyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C20H20N4O4S/c1-12(2)23-19(26)14-8-4-5-9-15(14)21-20(23)29-11-17(25)22-18-13(3)7-6-10-16(18)24(27)28/h4-10,12H,11H2,1-3H3,(H,22,25)