2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-4-5-8-14-26-22(29)19-12-6-7-13-20(19)25-23(26)32-16(2)21(28)24-17-10-9-11-18(15-17)27(30)31/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3,(H,24,28)