ethyl 4-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-phenethyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-phenethyloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-phenethyloxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-2-30-24(29)19-11-13-21(14-12-19)26-25(32)27-23(28)20-9-6-10-22(17-20)31-16-15-18-7-4-3-5-8-18/h3-14,17H,2,15-16H2,1H3,(H2,26,27,28,32)