1-(2,5-dimethoxyphenyl)-3-[1-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[1-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[1-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[1-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[1-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[1-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C(C(=O)C=C1O)[N+](=O)[O-])NNC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(=C1C=C(C(=O)C=C1O)[N+](=O)[O-])NNC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C17H18N4O6S/c1-9(11-7-13(21(24)25)15(23)8-14(11)22)19-20-17(28)18-12-6-10(26-2)4-5-16(12)27-3/h4-8,19,22H,1-3H3,(H2,18,20,28)