2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-13(2)12-24-20(27)17-9-4-5-10-18(17)23-21(24)30-14(3)19(26)22-15-7-6-8-16(11-15)25(28)29/h4-11,13-14H,12H2,1-3H3,(H,22,26)