2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H28N4O5S/c1-4-5-6-9-14-27-23(30)18-10-7-8-11-19(18)26-24(27)34-16(2)22(29)25-20-15-17(28(31)32)12-13-21(20)33-3/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,25,29)