N-[C-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carboximidothioate

Systemtic Name: N-[C-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carboximidothioate Openeye Name: N-[C-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carboximidothioate CAS Name: N-[(4-nitrophenyl)-[(4-nitrophenyl)methylimino]methyl]-4-morpholinecarboximidothioate IUPAC Name: N-[C-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carboximidothioate Traditional Name: N-[N-(4-nitrobenzyl)-C-(4-nitrophenyl)carbonimidoyl]morpholine-4-carboximidothioate Formula: C19H18N5O5S- MolecularWeight: 428.44172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=NC(=NCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

C1COCCN1C(=NC(=NCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C19H19N5O5S/c25-23(26)16-5-1-14(2-6-16)13-20-18(15-3-7-17(8-4-15)24(27)28)21-19(30)22-9-11-29-12-10-22/h1-8H,9-13H2,(H,20,21,30)/p-1