1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(5-methoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(5-methoxy-3-methyl-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=C(O2)C=CC(=C3)OC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-14-8-6-7-12(2)18(14)22-21(28)24-23-20(25)19-13(3)16-11-15(26-4)9-10-17(16)27-19/h6-11H,5H2,1-4H3,(H,23,25)(H2,22,24,28)