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

Systemtic Name: N-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-isobutyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(2-methylpropyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(2-methylpropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-isobutyl-4-keto-2-[(4-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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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=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4S/c1-19(2)17-29-26(33)22-10-13-24-25(16-22)30-28(37-18-21-8-11-23(12-9-21)32(35)36)31(27(24)34)15-14-20-6-4-3-5-7-20/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,29,33)