2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]propionamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-4-12(2)25-20(28)15-7-5-6-8-17(15)24-21(25)31-13(3)19(27)23-18-11-14(26(29)30)9-10-16(18)22/h5-13H,4H2,1-3H3,(H,23,27)