1-(diethoxyphosphorylmethyl)-3-(4-methylphenyl)-1-phenethyl-thiourea

Systemtic Name: 1-(diethoxyphosphorylmethyl)-3-(4-methylphenyl)-1-phenethyl-thiourea Openeye Name: 1-(diethoxyphosphorylmethyl)-1-phenethyl-3-(p-tolyl)thiourea CAS Name: 1-(diethoxyphosphorylmethyl)-3-(4-methylphenyl)-1-phenethylthiourea IUPAC Name: 1-(diethoxyphosphorylmethyl)-3-(4-methylphenyl)-1-phenethylthiourea Traditional Name: 1-(diethoxyphosphorylmethyl)-1-phenethyl-3-(p-tolyl)thiourea Formula: C21H29N2O3PS MolecularWeight: 420.505321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN(CCC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOP(=O)(CN(CCC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H29N2O3PS/c1-4-25-27(24,26-5-2)17-23(16-15-19-9-7-6-8-10-19)21(28)22-20-13-11-18(3)12-14-20/h6-14H,4-5,15-17H2,1-3H3,(H,22,28)