1-(4-butylphenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[3-(methoxymethyl)benzofuran-2-carbonyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[3-(methoxymethyl)-2-benzofuranyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[3-(methoxymethyl)benzofuran-2-carbonyl]amino]thiourea Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C22H25N3O3S/c1-3-4-7-15-10-12-16(13-11-15)23-22(29)25-24-21(26)20-18(14-27-2)17-8-5-6-9-19(17)28-20/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,26)(H2,23,25,29)