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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4S/c1-3-4-12-24-20(27)15-9-5-6-10-16(15)22-21(24)30-13-18(26)23-19-14(2)8-7-11-17(19)25(28)29/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)