2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-3-propyl-quinazolin-4-one Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S2/c1-2-9-24-20(26)16-5-3-4-6-17(16)22-21(24)32-19-8-7-15(14-18(19)25(27)28)33(29,30)23-10-12-31-13-11-23/h3-8,14H,2,9-13H2,1H3