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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C30H23ClN4O4S MolecularWeight: 571.04602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C30H23ClN4O4S/c1-2-19-12-14-21(15-13-19)34-29(37)23-10-6-7-11-25(23)33-30(34)40-27(20-8-4-3-5-9-20)28(36)32-26-17-16-22(35(38)39)18-24(26)31/h3-18,27H,2H2,1H3,(H,32,36)