1-[(E)-1-[7-methoxy-3-methyl-1,4-bis(oxidanylidene)quinoxaline-1,4-diium-2-yl]ethylideneamino]thiourea

Systemtic Name: 1-[(E)-1-[7-methoxy-3-methyl-1,4-bis(oxidanylidene)quinoxaline-1,4-diium-2-yl]ethylideneamino]thiourea Openeye Name: [(E)-1-(7-methoxy-3-methyl-1,4-dioxo-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea CAS Name: [(E)-1-(7-methoxy-3-methyl-1,4-dioxo-2-quinoxaline-1,4-diiumyl)ethylideneamino]thiourea IUPAC Name: [(E)-1-(7-methoxy-3-methyl-1,4-dioxoquinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea Traditional Name: [(E)-1-(1,4-diketo-7-methoxy-3-methyl-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea Formula: C13H15N5O3S+2 MolecularWeight: 321.3549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C([N+]1=O)C=CC(=C2)OC)C(=NNC(=S)N)C

Isomeric SMILES

CC1=C([N+](=O)C2=C([N+]1=O)C=CC(=C2)OC)/C(=N/NC(=S)N)/C

InChI

InChI=1S/C13H14N5O3S/c1-7(15-16-13(14)22)12-8(2)17(19)10-5-4-9(21-3)6-11(10)18(12)20/h4-6H,1-3H3,(H2-,14,16,19,22)/q+1/p+1