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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N4O5S/c1-24-14-6-4-11(8-15(14)25-2)18-16(26)19-17-9-10-3-5-13(21)12(7-10)20(22)23/h3-9,17H,1-2H3,(H2,18,19,26)