[4-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]-3-ethyl-phenyl] thiocyanate

Systemtic Name: [4-[[4-(diethoxyphosphorylmethyl)phenyl]carbonylamino]-3-ethyl-phenyl] thiocyanate Openeye Name: [4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-3-ethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[4-(diethoxyphosphorylmethyl)phenyl]-oxomethyl]amino]-3-ethylphenyl] ester IUPAC Name: [4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-3-ethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[4-(diethoxyphosphorylmethyl)benzoyl]amino]-3-ethyl-phenyl] ester Formula: C21H25N2O4PS MolecularWeight: 432.472961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NC(=O)C2=CC=C(C=C2)CP(=O)(OCC)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)NC(=O)C2=CC=C(C=C2)CP(=O)(OCC)OCC

InChI

InChI=1S/C21H25N2O4PS/c1-4-17-13-19(29-15-22)11-12-20(17)23-21(24)18-9-7-16(8-10-18)14-28(25,26-5-2)27-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,24)