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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide Formula: C29H20Cl2N4O4S MolecularWeight: 591.4645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H20Cl2N4O4S/c1-17-11-13-20(16-23(17)31)34-28(37)21-9-5-6-10-24(21)33-29(34)40-26(18-7-3-2-4-8-18)27(36)32-19-12-14-22(30)25(15-19)35(38)39/h2-16,26H,1H3,(H,32,36)