1-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-furyl]methyleneamino]thiourea CAS Name: [(E)-[5-[4-(2-pyrimidinylsulfamoyl)phenyl]-2-furanyl]methylideneamino]thiourea IUPAC Name: [(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[5-[4-(2-pyrimidylsulfamoyl)phenyl]-2-furyl]methyleneamino]thiourea Formula: C16H14N6O3S2 MolecularWeight: 402.45076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=NNC(=S)N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)/C=N/NC(=S)N

InChI

InChI=1S/C16H14N6O3S2/c17-15(26)21-20-10-12-4-7-14(25-12)11-2-5-13(6-3-11)27(23,24)22-16-18-8-1-9-19-16/h1-10H,(H3,17,21,26)(H,18,19,22)/b20-10+