2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-5-(2-propylsulfanylethyl)-1,3-diazinan-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-5-(2-propylsulfanylethyl)-1,3-diazinan-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-5-(2-propylsulfanylethyl)hexahydropyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-5-[2-(propylthio)ethyl]-1,3-diazinan-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-5-(2-propylsulfanylethyl)-1,3-diazinan-4-one Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-5-[2-(propylthio)ethyl]hexahydropyrimidin-4-one Formula: C18H27N3O4S2 MolecularWeight: 413.55468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N3O4S2/c1-4-8-26-9-7-14-12(2)19-18(20-17(14)22)27-11-13-5-6-16(25-3)15(10-13)21(23)24/h5-6,10,12,14,18-19H,4,7-9,11H2,1-3H3,(H,20,22)