2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C23H23ClN4O4S/c1-14-6-5-9-19(28(31)32)21(14)26-20(29)13-33-23-25-18-12-15(24)10-11-17(18)22(30)27(23)16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,13H2,1H3,(H,26,29)