1-(4-fluorophenyl)-3-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[(3-phenylanthranil-5-carbonyl)amino]thiourea Formula: C21H15FN4O2S MolecularWeight: 406.432803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NNC(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NNC(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O2S/c22-15-7-9-16(10-8-15)23-21(29)25-24-20(27)14-6-11-18-17(12-14)19(28-26-18)13-4-2-1-3-5-13/h1-12H,(H,24,27)(H2,23,25,29)