1-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylcarbamothioylamino]thiourea

Systemtic Name: 1-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylcarbamothioylamino]thiourea Openeye Name: 1-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylcarbamothioylamino]thiourea CAS Name: 1-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-[[[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylcarbamothioylamino]thiourea Traditional Name: 1-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylthiocarbamoylamino]thiourea Formula: C16H12N6O6S2 MolecularWeight: 448.43308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNC(=S)NNC(=S)NC=C2C=C(C=CC2=O)[N+](=O)[O-])C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CNC(=S)NNC(=S)NC=C2C=C(C=CC2=O)[N+](=O)[O-])C=C1[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O6S2/c23-13-3-1-11(21(25)26)5-9(13)7-17-15(29)19-20-16(30)18-8-10-6-12(22(27)28)2-4-14(10)24/h1-8H,(H2,17,19,29)(H2,18,20,30)