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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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