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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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