2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-5-6-13-26-22(29)17-9-7-8-10-18(17)24-23(26)32-16(4)21(28)25-20-15(3)14(2)11-12-19(20)27(30)31/h7-12,16H,5-6,13H2,1-4H3,(H,25,28)