3-(3-chloranyl-4-methyl-phenyl)-1-(diethoxyphosphorylmethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(diethoxyphosphorylmethyl)-1-phenethyl-thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-(diethoxyphosphorylmethyl)-1-phenethyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-(diethoxyphosphorylmethyl)-1-phenethylthiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(diethoxyphosphorylmethyl)-1-phenethylthiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(diethoxyphosphorylmethyl)-1-phenethyl-thiourea Formula: C21H28ClN2O3PS MolecularWeight: 454.950381

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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)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN2O3PS/c1-4-26-28(25,27-5-2)16-24(14-13-18-9-7-6-8-10-18)21(29)23-19-12-11-17(3)20(22)15-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,29)