N-(4-ethoxy-2-nitro-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5S/c1-4-32-16-9-10-19(20(13-16)27(30)31)24-21(28)14-33-23-25-18-8-6-5-7-17(18)22(29)26(23)12-11-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,28)