1-(4-butylphenyl)-3-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]thiourea Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)F)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)F)C

InChI

InChI=1S/C21H22FN3O2S/c1-3-4-5-14-6-9-16(10-7-14)23-21(28)25-24-20(26)19-13(2)17-12-15(22)8-11-18(17)27-19/h6-12H,3-5H2,1-2H3,(H,24,26)(H2,23,25,28)