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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea Traditional Name: 1-[2-(2-thienyl)-2-tosyl-ethyl]-3-veratryl-urea Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=CS3

InChI

InChI=1S/C23H26N2O5S2/c1-16-6-9-18(10-7-16)32(27,28)22(21-5-4-12-31-21)15-25-23(26)24-14-17-8-11-19(29-2)20(13-17)30-3/h4-13,22H,14-15H2,1-3H3,(H2,24,25,26)