1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-(diethoxyphosphorylmethyl)-3-(2-ethyl-6-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C20H29N2O4PS MolecularWeight: 424.494021

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CC2=CC=CO2)CP(=O)(OCC)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CC2=CC=CO2)CP(=O)(OCC)OCC)C

InChI

InChI=1S/C20H29N2O4PS/c1-5-17-11-8-10-16(4)19(17)21-20(28)22(14-18-12-9-13-24-18)15-27(23,25-6-2)26-7-3/h8-13H,5-7,14-15H2,1-4H3,(H,21,28)