1-(4-ethoxy-2-nitro-phenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-(4-ethoxy-2-nitrophenyl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-(4-ethoxy-2-nitrophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiourea Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5S/c1-2-30-13-7-8-15(16(9-13)25(28)29)21-19(31)23-22-17(26)11-24-18(27)14-6-4-3-5-12(14)10-20-24/h3-10H,2,11H2,1H3,(H,22,26)(H2,21,23,31)