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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O4S/c1-3-4-5-8-13-27-22(30)17-9-6-7-10-19(17)26-23(27)33-15(2)21(29)25-20-12-11-16(28(31)32)14-18(20)24/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,25,29)