2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21ClN4O5S/c1-4-9-25-20(28)15-7-5-13(22)10-16(15)24-21(25)32-12(2)19(27)23-17-11-14(26(29)30)6-8-18(17)31-3/h5-8,10-12H,4,9H2,1-3H3,(H,23,27)