1-(diethoxyphosphorylmethyl)-3-(2-methylphenyl)-1-phenethyl-thiourea

Systemtic Name: 1-(diethoxyphosphorylmethyl)-3-(2-methylphenyl)-1-phenethyl-thiourea Openeye Name: 1-(diethoxyphosphorylmethyl)-3-(o-tolyl)-1-phenethyl-thiourea CAS Name: 1-(diethoxyphosphorylmethyl)-3-(2-methylphenyl)-1-phenethylthiourea IUPAC Name: 1-(diethoxyphosphorylmethyl)-3-(2-methylphenyl)-1-phenethylthiourea Traditional Name: 1-(diethoxyphosphorylmethyl)-3-(o-tolyl)-1-phenethyl-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=CC=C2C)OCC

Isomeric SMILES

CCOP(=O)(CN(CCC1=CC=CC=C1)C(=S)NC2=CC=CC=C2C)OCC

InChI

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