N-(2-chloranyl-5-nitro-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C24H18Cl2N4O4S MolecularWeight: 529.39512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C24H18Cl2N4O4S/c1-14(22(31)27-21-12-17(30(33)34)8-10-19(21)26)35-24-28-20-11-16(25)7-9-18(20)23(32)29(24)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,27,31)