1-(2-ethyl-6-methyl-phenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-yl]carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[3-(methoxymethyl)benzofuran-2-carbonyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[[3-(methoxymethyl)-2-benzofuranyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[3-(methoxymethyl)benzofuran-2-carbonyl]amino]thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)COC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)COC)C

InChI

InChI=1S/C21H23N3O3S/c1-4-14-9-7-8-13(2)18(14)22-21(28)24-23-20(25)19-16(12-26-3)15-10-5-6-11-17(15)27-19/h5-11H,4,12H2,1-3H3,(H,23,25)(H2,22,24,28)