1-[(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-furan-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-furan-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea CAS Name: [(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-2-furanyl]methylideneamino]thiourea IUPAC Name: [(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[4,5-bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NNC(=S)N)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])/C=N/NC(=S)N)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H22N4O7S/c1-29-14-7-5-12(9-16(14)31-3)19-20(26(27)28)18(11-24-25-22(23)34)33-21(19)13-6-8-15(30-2)17(10-13)32-4/h5-11H,1-4H3,(H3,23,25,34)/b24-11+