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

Systemtic Name: 3-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(2-methylpropyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-2-[(4-nitrobenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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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-])CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-4-11-24-21(28)17-7-10-19-20(12-17)25-23(26(22(19)29)13-15(2)3)32-14-16-5-8-18(9-6-16)27(30)31/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,24,28)