N-(2,3-dimethylcyclohexyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O4S/c1-15-6-5-9-20(16(15)2)25-22(29)14-33-24-26-21-8-4-3-7-19(21)23(30)27(24)17-10-12-18(13-11-17)28(31)32/h3-4,7-8,10-13,15-16,20H,5-6,9,14H2,1-2H3,(H,25,29)