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

Systemtic Name: N,3-bis(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,3-diisobutyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N,3-bis(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,3-bis(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-diisobutyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-15(2)12-25-22(29)18-8-9-20-21(11-18)26-24(27(23(20)30)13-16(3)4)33-14-17-6-5-7-19(10-17)28(31)32/h5-11,15-16H,12-14H2,1-4H3,(H,25,29)