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

Systemtic Name: 2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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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)N2C4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H22N4O4S/c1-14-17(11-6-12-19(14)26(29)30)23-20(27)13-31-22-24-18-10-5-4-9-16(18)21(28)25(22)15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8,13H2,1H3,(H,23,27)