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

Systemtic Name: N-(2-methoxyethyl)-3-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-(2-methoxyethyl)-3-(2-methylpropyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(2-methoxyethyl)-3-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5S/c1-15(2)13-26-22(29)19-9-6-17(21(28)24-10-11-32-3)12-20(19)25-23(26)33-14-16-4-7-18(8-5-16)27(30)31/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,24,28)