1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)sulfonyl-2-(2-thienyl)ethyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]urea Traditional Name: 1-[2-(4-fluorophenyl)sulfonyl-2-(2-thienyl)ethyl]-3-veratryl-urea Formula: C22H23FN2O5S2 MolecularWeight: 478.556823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H23FN2O5S2/c1-29-18-10-5-15(12-19(18)30-2)13-24-22(26)25-14-21(20-4-3-11-31-20)32(27,28)17-8-6-16(23)7-9-17/h3-12,21H,13-14H2,1-2H3,(H2,24,25,26)