N-(4-methyl-3-nitro-phenyl)-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-quinazolin-2-yl)thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-17-11-12-19(15-22(17)29(32)33)26-23(30)16-34-25-27-21-10-6-5-9-20(21)24(31)28(25)14-13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,26,30)