4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[(4-nitrobenzyl)thio]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O4S/c36-29(32-19-18-22-6-2-1-3-7-22)25-14-10-23(11-15-25)20-34-30(37)27-8-4-5-9-28(27)33-31(34)40-21-24-12-16-26(17-13-24)35(38)39/h1-9,12-13,16-17,23,25H,10-11,14-15,18-21H2,(H,32,36)