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

Systemtic Name: 1-(5-iodanyl-2-methyl-phenyl)-3-[1-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-[1-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylamino]-3-(5-iodo-2-methyl-phenyl)thiourea CAS Name: 1-[1-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]-3-(5-iodo-2-methylphenyl)thiourea IUPAC Name: 1-[1-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]-3-(5-iodo-2-methylphenyl)thiourea Traditional Name: 1-[1-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)ethylamino]-3-(5-iodo-2-methyl-phenyl)thiourea Formula: C16H15IN4O4S MolecularWeight: 486.28417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)I)NC(=S)NNC(=C2C=C(C(=O)C=C2O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)I)NC(=S)NNC(=C2C=C(C(=O)C=C2O)[N+](=O)[O-])C

InChI

InChI=1S/C16H15IN4O4S/c1-8-3-4-10(17)5-12(8)18-16(26)20-19-9(2)11-6-13(21(24)25)15(23)7-14(11)22/h3-7,19,22H,1-2H3,(H2,18,20,26)