1-ethyl-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methylsulfanyl]urea

Systemtic Name: 1-ethyl-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methylsulfanyl]urea Openeye Name: 1-ethyl-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methylsulfanyl]urea CAS Name: 1-ethyl-3-[3-(methylthio)phenyl]-1-[(3,4,5-trimethoxyphenyl)methylthio]urea IUPAC Name: 1-ethyl-3-(3-methylsulfanylphenyl)-1-[(3,4,5-trimethoxyphenyl)methylsulfanyl]urea Traditional Name: 1-ethyl-3-[3-(methylthio)phenyl]-1-[(3,4,5-trimethoxybenzyl)thio]urea Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NC1=CC(=CC=C1)SC)SCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCN(C(=O)NC1=CC(=CC=C1)SC)SCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H26N2O4S2/c1-6-22(20(23)21-15-8-7-9-16(12-15)27-5)28-13-14-10-17(24-2)19(26-4)18(11-14)25-3/h7-12H,6,13H2,1-5H3,(H,21,23)