propyl 4-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-2-15-33-25(30)19-11-13-21(14-12-19)27-26(34)28-24(29)20-7-6-10-23(18-20)32-17-16-31-22-8-4-3-5-9-22/h3-14,18H,2,15-17H2,1H3,(H2,27,28,29,34)