N-(2-chloranyl-4-nitro-phenyl)-2-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]acetamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H19ClN4O4S/c1-15(16-7-3-2-4-8-16)28-23(31)18-9-5-6-10-20(18)27-24(28)34-14-22(30)26-21-12-11-17(29(32)33)13-19(21)25/h2-13,15H,14H2,1H3,(H,26,30)/t15-/m1/s1