3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C22H24N4O5S/c1-3-10-23-20(27)16-6-9-18-19(13-16)24-22(25(21(18)28)11-12-31-2)32-14-15-4-7-17(8-5-15)26(29)30/h4-9,13H,3,10-12,14H2,1-2H3,(H,23,27)