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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-3-4-13-24-20(27)15-9-5-6-10-16(15)23-21(24)30-14(2)19(26)22-17-11-7-8-12-18(17)25(28)29/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)