1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-3-(2-methoxy-4-methylsulfanyl-phenyl)urea

Systemtic Name: 1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-3-(2-methoxy-4-methylsulfanyl-phenyl)urea Openeye Name: 1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-3-(2-methoxy-4-methylsulfanyl-phenyl)urea CAS Name: 1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-3-[2-methoxy-4-(methylthio)phenyl]urea IUPAC Name: 1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-3-(2-methoxy-4-methylsulfanylphenyl)urea Traditional Name: 1-heptyl-1-[4-(2-methoxyethoxymethoxy)benzyl]-3-[2-methoxy-4-(methylthio)phenyl]urea Formula: C27H40N2O5S MolecularWeight: 504.6819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C27H40N2O5S/c1-5-6-7-8-9-16-29(27(30)28-25-15-14-24(35-4)19-26(25)32-3)20-22-10-12-23(13-11-22)34-21-33-18-17-31-2/h10-15,19H,5-9,16-18,20-21H2,1-4H3,(H,28,30)