2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-3-12(2)24-19(27)14-6-4-5-7-16(14)23-20(24)30-11-18(26)22-17-9-8-13(25(28)29)10-15(17)21/h4-10,12H,3,11H2,1-2H3,(H,22,26)